MiMeDB: Showing metabocard for Mycothiol (MMDBc0002073)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-14 20:37:15 UTC

Update Date

2025-10-07 16:04:33 UTC

Metabolite ID

MMDBc0002073

Metabolite Identification

Common Name

Mycothiol

Description

Mycothiol is a low-molecular-weight thiol compound belonging to the chemical class of thiol antioxidants. It plays a crucial role in the redox biology of mycobacteria, particularly in Mycobacterium tuberculosis, where mycothiol cysteine ligase (MshC) is essential for its biosynthesis and represents a potential target for novel anti-mycobacterial drug development (PMID:40913853 ). Additionally, mycothiol disulfide reductase has been identified as a target for anti-nontuberculous mycobacterial drug candidates, with its crystal structure determined from Mycobacterium abscessus (PMID:40972502 ). The expression of mycothiol oxidoreductase MscR is linked to resistance mechanisms against electrophilic stressors, indicating its significance in cellular defense (PMID:40799345 ). Furthermore, treatment of Mtb cells with electrophiles reveals profound thiol stress and rapid depletion of mycothiol (PMID:39625876 ; PMID:39372785 ). Mycothiol's involvement in various metabolic pathways, including enhanced H2O2 scavenging and iron chelation, highlights its biological relevance (PMID:40538044 ). Despite its importance, literature on mycothiol remains limited, indicating a need for further exploration of its functions and applications in mycobacterial research.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305142122372D          

 58 61  0  0  1  0            999 V2000
   -0.0404    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1487    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146    2.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8736    2.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0443    7.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1556    3.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937    2.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    1.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3216    3.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9626    3.6597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8388    1.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7893    6.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2795    5.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    6.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7274    6.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0594    5.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5073    6.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8044    4.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7004    5.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9975    4.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4454    5.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2175    4.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0864    5.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5146    3.0466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0245    4.6158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    1.4924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8512    7.9258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5766    4.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4303    7.4113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9205    5.8420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8664    5.6450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7623    6.8712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3565    4.0757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1483    6.5281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7425    3.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6655    5.0574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146   -0.3721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937   -0.3721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3414    6.3566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6385    4.9589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007    2.7035    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4106    4.2728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2373    7.5828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4725    5.2289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1754    6.6266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5344    6.1851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3143    6.2581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9553    6.6996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5495    3.9042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2524    5.3019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1905    4.3458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8934    5.7435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8315    4.7874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 10  8  2  0  0  0  0
 11  4  1  4  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 13  9  2  0  0  0  0
 14  5  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 17 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 12  1  0  0  0  0
 25  8  1  0  0  0  0
 26  9  1  0  0  0  0
 27 15  1  0  0  0  0
 28 11  2  0  0  0  0
 12 28  1  6  0  0  0
 29 15  1  4  0  0  0
 29 24  2  0  0  0  0
 30 10  1  0  0  0  0
 30 13  1  0  0  0  0
 31 25  1  0  0  0  0
 31 26  1  0  0  0  0
 31 30  1  0  0  0  0
 32  5  1  0  0  0  0
 33 11  1  0  0  0  0
 34 16  1  0  0  0  0
 35 17  1  0  0  0  0
 36 18  1  0  0  0  0
 37 19  1  0  0  0  0
 38 20  1  0  0  0  0
 39 21  1  0  0  0  0
 40 22  1  0  0  0  0
 41 24  1  0  0  0  0
 42 25  2  0  0  0  0
 43 26  2  0  0  0  0
 44 14  1  0  0  0  0
 44 27  1  0  0  0  0
 45 23  1  0  0  0  0
 45 27  1  0  0  0  0
 46  6  1  0  0  0  0
 46  7  1  0  0  0  0
 12 47  1  6  0  0  0
 48 14  1  0  0  0  0
 49 15  1  0  0  0  0
 50 16  1  0  0  0  0
 51 17  1  0  0  0  0
 52 18  1  0  0  0  0
 53 19  1  0  0  0  0
 54 20  1  0  0  0  0
 55 21  1  0  0  0  0
 56 22  1  0  0  0  0
 57 23  1  0  0  0  0
 58 27  1  0  0  0  0
M  END


  Mrv1652305142122372D          

 58 61  0  0  1  0            999 V2000
   -0.0404    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1487    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146    2.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8736    2.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0443    7.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1556    3.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937    2.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    1.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3216    3.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9626    3.6597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8388    1.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7893    6.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2795    5.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    6.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7274    6.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0594    5.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5073    6.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8044    4.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7004    5.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9975    4.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4454    5.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2175    4.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0864    5.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5146    3.0466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0245    4.6158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    1.4924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8512    7.9258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5766    4.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4303    7.4113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9205    5.8420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8664    5.6450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7623    6.8712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3565    4.0757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1483    6.5281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7425    3.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6655    5.0574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146   -0.3721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937   -0.3721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3414    6.3566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6385    4.9589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007    2.7035    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4106    4.2728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2373    7.5828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4725    5.2289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1754    6.6266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5344    6.1851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3143    6.2581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9553    6.6996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5495    3.9042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2524    5.3019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1905    4.3458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8934    5.7435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8315    4.7874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 10  8  2  0  0  0  0
 11  4  1  4  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 13  9  2  0  0  0  0
 14  5  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 17 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 12  1  0  0  0  0
 25  8  1  0  0  0  0
 26  9  1  0  0  0  0
 27 15  1  0  0  0  0
 28 11  2  0  0  0  0
 12 28  1  6  0  0  0
 29 15  1  4  0  0  0
 29 24  2  0  0  0  0
 30 10  1  0  0  0  0
 30 13  1  0  0  0  0
 31 25  1  0  0  0  0
 31 26  1  0  0  0  0
 31 30  1  0  0  0  0
 32  5  1  0  0  0  0
 33 11  1  0  0  0  0
 34 16  1  0  0  0  0
 35 17  1  0  0  0  0
 36 18  1  0  0  0  0
 37 19  1  0  0  0  0
 38 20  1  0  0  0  0
 39 21  1  0  0  0  0
 40 22  1  0  0  0  0
 41 24  1  0  0  0  0
 42 25  2  0  0  0  0
 43 26  2  0  0  0  0
 44 14  1  0  0  0  0
 44 27  1  0  0  0  0
 45 23  1  0  0  0  0
 45 27  1  0  0  0  0
 46  6  1  0  0  0  0
 46  7  1  0  0  0  0
 12 47  1  6  0  0  0
 48 14  1  0  0  0  0
 49 15  1  0  0  0  0
 50 16  1  0  0  0  0
 51 17  1  0  0  0  0
 52 18  1  0  0  0  0
 53 19  1  0  0  0  0
 54 20  1  0  0  0  0
 55 21  1  0  0  0  0
 56 22  1  0  0  0  0
 57 23  1  0  0  0  0
 58 27  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0002073

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@](CSCC1=C(C)C(=O)N2N1C(C)=C(C)C2=O)(N=C(C)O)C(O)=NC1([H])C([H])(OC2([H])C([H])(O)C([H])(O)C([H])(O)C([H])(O)C2([H])O)OC([H])(CO)C([H])(O)C1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C27H40N4O14S/c1-8-10(3)30-13(9(2)26(43)31(30)25(8)42)7-46-6-12(28-11(4)33)24(41)29-15-17(35)16(34)14(5-32)44-27(15)45-23-21(39)19(37)18(36)20(38)22(23)40/h12,14-23,27,32,34-40H,5-7H2,1-4H3,(H,28,33)(H,29,41)/t12-,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,27?/m0/s1

> <INCHI_KEY>
DUKFQTJTBSIGQL-ZFHOMJCASA-N

> <FORMULA>
C27H40N4O14S

> <MOLECULAR_WEIGHT>
676.69

> <EXACT_MASS>
676.226173158

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_ATOM_COUNT>
86

> <JCHEM_AVERAGE_POLARIZABILITY>
66.69510154043208

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]oxan-3-yl]-2-[(1-hydroxyethylidene)amino]-3-[({2,6,7-trimethyl-3,5-dioxo-3H,5H-[1,2]diazolo[1,2-a]pyrazol-1-yl}methyl)sulfanyl]propanimidic acid

> <ALOGPS_LOGP>
-1.38

> <JCHEM_LOGP>
-4.475270563666668

> <ALOGPS_LOGS>
-2.16

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
5.6749826643416945

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.429318900591491

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6425439461832845

> <JCHEM_POLAR_SURFACE_AREA>
286.1

> <JCHEM_REFRACTIVITY>
157.69910000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.73e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]oxan-3-yl]-2-[(1-hydroxyethylidene)amino]-3-[({2,6,7-trimethyl-3,5-dioxo-[1,2]diazolo[1,2-a]pyrazol-1-yl}methyl)sulfanyl]propanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 14-MAY-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   14-MAY-21         0                                  
HETATM    1  C   UNK     0      -0.075   2.016   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.744   2.016   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.894   4.726   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.831   4.863   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.149  14.475   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.757   6.511   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.775   4.726   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.465   2.016   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.204   2.016   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.370   3.262   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      11.800   6.007   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.264   6.831   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.299   3.262   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.673  13.010   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      11.722  10.081   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      11.167  12.690   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.691  11.225   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      18.778  10.217   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      17.747  11.362   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      18.302   8.752   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      16.241  11.041   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      16.795   8.432   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      15.765   9.577   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.739   8.296   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.370   0.770   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.299   0.770   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      13.228  10.401   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0      10.294   5.687   0.000  0.00  0.00           N+0
HETATM   29  N   UNK     0      11.246   8.616   0.000  0.00  0.00           N+0
HETATM   30  N   UNK     0       3.834   2.786   0.000  0.00  0.00           N+0
HETATM   31  N   UNK     0       3.834   1.246   0.000  0.00  0.00           N+0
HETATM   32  O   UNK     0      14.656  14.795   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      12.276   7.472   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      10.137  13.834   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       9.185  10.905   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      20.284  10.537   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      18.223  12.826   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      19.332   7.608   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      15.210  12.186   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      16.319   6.968   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       8.709   9.440   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       1.894  -0.695   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       5.775  -0.695   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0      13.704  11.866   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0      14.258   9.257   0.000  0.00  0.00           O+0
HETATM   46  S   UNK     0       7.281   5.047   0.000  0.00  0.00           S+0
HETATM   47  H   UNK     0       8.233   7.976   0.000  0.00  0.00           H+0
HETATM   48  H   UNK     0      11.643  14.155   0.000  0.00  0.00           H+0
HETATM   49  H   UNK     0      10.215   9.761   0.000  0.00  0.00           H+0
HETATM   50  H   UNK     0       9.661  12.370   0.000  0.00  0.00           H+0
HETATM   51  H   UNK     0      12.198  11.545   0.000  0.00  0.00           H+0
HETATM   52  H   UNK     0      19.253  11.682   0.000  0.00  0.00           H+0
HETATM   53  H   UNK     0      16.717  12.506   0.000  0.00  0.00           H+0
HETATM   54  H   UNK     0      17.826   7.288   0.000  0.00  0.00           H+0
HETATM   55  H   UNK     0      17.271   9.897   0.000  0.00  0.00           H+0
HETATM   56  H   UNK     0      15.289   8.112   0.000  0.00  0.00           H+0
HETATM   57  H   UNK     0      14.734  10.721   0.000  0.00  0.00           H+0
HETATM   58  H   UNK     0      12.752   8.936   0.000  0.00  0.00           H+0
CONECT    1    8                                                            
CONECT    2    9                                                            
CONECT    3   10                                                            
CONECT    4   11                                                            
CONECT    5   14   32                                                       
CONECT    6   12   46                                                       
CONECT    7   13   46                                                       
CONECT    8    1   10   25                                                  
CONECT    9    2   13   26                                                  
CONECT   10    3    8   30                                                  
CONECT   11    4   28   33                                                  
CONECT   12    6   24   28   47                                             
CONECT   13    7    9   30                                                  
CONECT   14    5   16   44   48                                             
CONECT   15   17   27   29   49                                             
CONECT   16   14   17   34   50                                             
CONECT   17   15   16   35   51                                             
CONECT   18   19   20   36   52                                             
CONECT   19   18   21   37   53                                             
CONECT   20   18   22   38   54                                             
CONECT   21   19   23   39   55                                             
CONECT   22   20   23   40   56                                             
CONECT   23   21   22   45   57                                             
CONECT   24   12   29   41                                                  
CONECT   25    8   31   42                                                  
CONECT   26    9   31   43                                                  
CONECT   27   15   44   45   58                                             
CONECT   28   11   12                                                       
CONECT   29   15   24                                                       
CONECT   30   10   13   31                                                  
CONECT   31   25   26   30                                                  
CONECT   32    5                                                            
CONECT   33   11                                                            
CONECT   34   16                                                            
CONECT   35   17                                                            
CONECT   36   18                                                            
CONECT   37   19                                                            
CONECT   38   20                                                            
CONECT   39   21                                                            
CONECT   40   22                                                            
CONECT   41   24                                                            
CONECT   42   25                                                            
CONECT   43   26                                                            
CONECT   44   14   27                                                       
CONECT   45   23   27                                                       
CONECT   46    6    7                                                       
CONECT   47   12                                                            
CONECT   48   14                                                            
CONECT   49   15                                                            
CONECT   50   16                                                            
CONECT   51   17                                                            
CONECT   52   18                                                            
CONECT   53   19                                                            
CONECT   54   20                                                            
CONECT   55   21                                                            
CONECT   56   22                                                            
CONECT   57   23                                                            
CONECT   58   27                                                            
MASTER        0    0    0    0    0    0    0    0   58    0  122    0
END

Synonyms

Value	Source
(2R)-N-[4,5-Dihydroxy-6-(hydroxymethyl)-2-[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]oxan-3-yl]-2-[(1-hydroxyethylidene)amino]-3-[({2,6,7-trimethyl-3,5-dioxo-3H,5H-[1,2]diazolo[1,2-a]pyrazol-1-yl}methyl)sulfanyl]propanimidate	Generator
(2R)-N-[4,5-Dihydroxy-6-(hydroxymethyl)-2-[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]oxan-3-yl]-2-[(1-hydroxyethylidene)amino]-3-[({2,6,7-trimethyl-3,5-dioxo-3H,5H-[1,2]diazolo[1,2-a]pyrazol-1-yl}methyl)sulphanyl]propanimidate	Generator
(2R)-N-[4,5-Dihydroxy-6-(hydroxymethyl)-2-[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]oxan-3-yl]-2-[(1-hydroxyethylidene)amino]-3-[({2,6,7-trimethyl-3,5-dioxo-3H,5H-[1,2]diazolo[1,2-a]pyrazol-1-yl}methyl)sulphanyl]propanimidic acid	Generator

Molecular Formula

C₂₇H₄₀N₄O₁₄S

Average Mass

676.69

Monoisotopic Mass

676.226173158

IUPAC Name

(2R)-N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]oxan-3-yl]-2-[(1-hydroxyethylidene)amino]-3-[({2,6,7-trimethyl-3,5-dioxo-3H,5H-[1,2]diazolo[1,2-a]pyrazol-1-yl}methyl)sulfanyl]propanimidic acid

Traditional Name

(2R)-N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]oxan-3-yl]-2-[(1-hydroxyethylidene)amino]-3-[({2,6,7-trimethyl-3,5-dioxo-[1,2]diazolo[1,2-a]pyrazol-1-yl}methyl)sulfanyl]propanimidic acid

CAS Registry Number

Not Available

SMILES

[H][C@@](CSCC1=C(C)C(=O)N2N1C(C)=C(C)C2=O)(N=C(C)O)C(O)=NC1([H])C([H])(OC2([H])C([H])(O)C([H])(O)C([H])(O)C([H])(O)C2([H])O)OC([H])(CO)C([H])(O)C1([H])O

InChI Identifier

InChI=1S/C27H40N4O14S/c1-8-10(3)30-13(9(2)26(43)31(30)25(8)42)7-46-6-12(28-11(4)33)24(41)29-15-17(35)16(34)14(5-32)44-27(15)45-23-21(39)19(37)18(36)20(38)22(23)40/h12,14-23,27,32,34-40H,5-7H2,1-4H3,(H,28,33)(H,29,41)/t12-,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,27?/m0/s1

InChI Key

DUKFQTJTBSIGQL-ZFHOMJCASA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

N-acyl-alpha-hexosamines

Alternative Parents

Substituents

N-acyl-alpha-hexosamine
O-glycosyl compound
Glycosyl compound
Pyrazolopyrazole
Cyclohexanol
Pyrazolinone
Oxane
Monosaccharide
Cyclitol or derivatives
Heteroaromatic compound
Vinylogous amide
Pyrazole
Cyclic alcohol
Azole
Secondary alcohol
Lactam
Oxacycle
Azacycle
Organoheterocyclic compound
Dialkylthioether
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Sulfenyl compound
Thioether
Polyol
Carboximidic acid derivative
Carboximidic acid
Acetal
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organosulfur compound
Organonitrogen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	4.73 g/L	ALOGPS
logP	-1.4	ALOGPS
logP	-4.5	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	3.43	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	286.1 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	157.7 m³·mol⁻¹	ChemAxon
Polarizability	66.7 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	508.2
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	391.1
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	149.5
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	356.0
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	353.5
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	188.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	650.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	679.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	265.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	153.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	483.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	176.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	71.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	300.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	462.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	68.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	290.5
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	927.2
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	639.0

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Mycothiol_TMS_1	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	3092.14
Gas Chromatography	Mycothiol_TMS_2	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	1801.36
Gas Chromatography	Mycothiol_TMS_3	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	standard non polar	2025-10-23	2015.42
Gas Chromatography	Mycothiol_TMS_4	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	standard non polar	2025-10-23	2816.75
Gas Chromatography	Mycothiol_TMS_5	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O	standard non polar	2025-10-23	1931.49
Gas Chromatography	Mycothiol_TMS_6	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O	standard non polar	2025-10-23	2035.17
Gas Chromatography	Mycothiol_TMS_7	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O	standard non polar	2025-10-23	3147.81
Gas Chromatography	Mycothiol_TMS_8	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C	standard non polar	2025-10-23	2261.83
Gas Chromatography	Mycothiol_TMS_9	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2645.19
Gas Chromatography	Mycothiol_TMS_10	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	2297.51
Gas Chromatography	Mycothiol_TMS_11	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	1664.61
Gas Chromatography	Mycothiol_TMS_12	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	736.988
Gas Chromatography	Mycothiol_TMS_13	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	2506.99
Gas Chromatography	Mycothiol_TMS_14	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	-131.748
Gas Chromatography	Mycothiol_TMS_15	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2201.29
Gas Chromatography	Mycothiol_TMS_16	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	2642.8
Gas Chromatography	Mycothiol_TMS_17	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	2280.93
Gas Chromatography	Mycothiol_TMS_18	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	1559.12
Gas Chromatography	Mycothiol_TMS_19	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	3385.49
Gas Chromatography	Mycothiol_TMS_20	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	1288.42
Gas Chromatography	Mycothiol_TMS_21	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	350.924
Gas Chromatography	Mycothiol_TMS_22	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	standard non polar	2025-10-23	3490.79
Gas Chromatography	Mycothiol_TMS_23	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	standard non polar	2025-10-23	2091.26
Gas Chromatography	Mycothiol_TMS_24	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	standard non polar	2025-10-23	1333.64
Gas Chromatography	Mycothiol_TMS_25	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	standard non polar	2025-10-23	832.222
Gas Chromatography	Mycothiol_TMS_26	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	standard non polar	2025-10-23	1801.19
Gas Chromatography	Mycothiol_TMS_27	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	standard non polar	2025-10-23	2945.25
Gas Chromatography	Mycothiol_TMS_28	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	standard non polar	2025-10-23	2060.08
Gas Chromatography	Mycothiol_TMS_29	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	standard non polar	2025-10-23	2979.75
Gas Chromatography	Mycothiol_TMS_30	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	standard non polar	2025-10-23	1510.32
Gas Chromatography	Mycothiol_TMS_31	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O)C1O	standard non polar	2025-10-23	2160.12
Gas Chromatography	Mycothiol_TMS_32	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O	standard non polar	2025-10-23	2211.0
Gas Chromatography	Mycothiol_TMS_33	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C	standard non polar	2025-10-23	1696.46
Gas Chromatography	Mycothiol_TMS_34	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O	standard non polar	2025-10-23	3429.18
Gas Chromatography	Mycothiol_TMS_35	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O	standard non polar	2025-10-23	2662.13
Gas Chromatography	Mycothiol_TMS_36	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C	standard non polar	2025-10-23	2922.8
Gas Chromatography	Mycothiol_TMS_37	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	standard non polar	2025-10-23	3430.08
Gas Chromatography	Mycothiol_TMS_38	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	standard non polar	2025-10-23	2463.85
Gas Chromatography	Mycothiol_TMS_39	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-23	2561.0
Gas Chromatography	Mycothiol_TMS_40	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1442.97
Gas Chromatography	Mycothiol_TMS_41	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	3965.48
Gas Chromatography	Mycothiol_TMS_42	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1739.31
Gas Chromatography	Mycothiol_TMS_43	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	942.199
Gas Chromatography	Mycothiol_TMS_44	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	3270.04
Gas Chromatography	Mycothiol_TMS_45	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2676.32
Gas Chromatography	Mycothiol_TMS_46	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	1671.7
Gas Chromatography	Mycothiol_TMS_47	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	1265.74
Gas Chromatography	Mycothiol_TMS_48	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	1110.23
Gas Chromatography	Mycothiol_TMS_49	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	3336.86
Gas Chromatography	Mycothiol_TMS_50	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	1159.47
Gas Chromatography	Mycothiol_TMS_51	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	1295.69
Gas Chromatography	Mycothiol_TMS_52	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1014.2
Gas Chromatography	Mycothiol_TMS_53	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	2102.08
Gas Chromatography	Mycothiol_TMS_54	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	2383.86
Gas Chromatography	Mycothiol_TMS_55	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	613.258
Gas Chromatography	Mycothiol_TMS_56	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	147.339
Gas Chromatography	Mycothiol_TMS_57	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2550.65
Gas Chromatography	Mycothiol_TMS_58	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	2870.7
Gas Chromatography	Mycothiol_TMS_59	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	710.53
Gas Chromatography	Mycothiol_TMS_60	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1286.98
Gas Chromatography	Mycothiol_TMS_61	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	1138.95
Gas Chromatography	Mycothiol_TMS_62	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1558.0
Gas Chromatography	Mycothiol_TMS_63	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1153.08
Gas Chromatography	Mycothiol_TMS_64	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	3085.91
Gas Chromatography	Mycothiol_TMS_65	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	1800.15
Gas Chromatography	Mycothiol_TMS_66	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	522.235
Gas Chromatography	Mycothiol_TMS_67	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	1811.74
Gas Chromatography	Mycothiol_TMS_68	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	1792.95
Gas Chromatography	Mycothiol_TMS_69	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	1357.42
Gas Chromatography	Mycothiol_TMS_70	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1364.45
Gas Chromatography	Mycothiol_TMS_71	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	1725.84
Gas Chromatography	Mycothiol_TMS_72	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	2303.57
Gas Chromatography	Mycothiol_TMS_73	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	1805.28
Gas Chromatography	Mycothiol_TMS_74	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	2085.25
Gas Chromatography	Mycothiol_TMS_75	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1280.13
Gas Chromatography	Mycothiol_TMS_76	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	2373.08
Gas Chromatography	Mycothiol_TMS_77	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	1979.57
Gas Chromatography	Mycothiol_TMS_78	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1259.43
Gas Chromatography	Mycothiol_TMS_79	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-23	1827.49
Gas Chromatography	Mycothiol_TMS_80	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2095.69
Gas Chromatography	Mycothiol_TMS_81	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1524.2
Gas Chromatography	Mycothiol_TMS_82	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	standard non polar	2025-10-23	1682.33
Gas Chromatography	Mycothiol_TMS_83	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	standard non polar	2025-10-23	264.161
Gas Chromatography	Mycothiol_TMS_84	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	standard non polar	2025-10-23	2543.23
Gas Chromatography	Mycothiol_TMS_85	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	standard non polar	2025-10-23	813.205
Gas Chromatography	Mycothiol_TMS_86	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	standard non polar	2025-10-23	2613.33
Gas Chromatography	Mycothiol_TMS_87	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	standard non polar	2025-10-23	1868.93
Gas Chromatography	Mycothiol_TMS_88	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	standard non polar	2025-10-23	1729.54
Gas Chromatography	Mycothiol_TMS_89	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	standard non polar	2025-10-23	1778.38
Gas Chromatography	Mycothiol_TMS_90	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	standard non polar	2025-10-23	2042.99
Gas Chromatography	Mycothiol_TMS_91	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	standard non polar	2025-10-23	828.169
Gas Chromatography	Mycothiol_TMS_92	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	standard non polar	2025-10-23	2369.74
Gas Chromatography	Mycothiol_TMS_93	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	standard non polar	2025-10-23	1360.22
Gas Chromatography	Mycothiol_TMS_94	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	standard non polar	2025-10-23	2603.77
Gas Chromatography	Mycothiol_TMS_95	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	standard non polar	2025-10-23	2108.54
Gas Chromatography	Mycothiol_TMS_96	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	standard non polar	2025-10-23	2526.89
Gas Chromatography	Mycothiol_TMS_97	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	standard non polar	2025-10-23	687.065
Gas Chromatography	Mycothiol_TMS_98	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	standard non polar	2025-10-23	512.633
Gas Chromatography	Mycothiol_TMS_99	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	standard non polar	2025-10-23	1896.77
Gas Chromatography	Mycothiol_TMS_100	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	standard non polar	2025-10-23	683.218
Gas Chromatography	Mycothiol_TMS_101	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-23	1848.17
Gas Chromatography	Mycothiol_TMS_102	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	standard non polar	2025-10-23	1743.38
Gas Chromatography	Mycothiol_TMS_103	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O)C1O	standard non polar	2025-10-23	1473.04
Gas Chromatography	Mycothiol_TMS_104	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O	standard non polar	2025-10-23	1862.89
Gas Chromatography	Mycothiol_TMS_105	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C	standard non polar	2025-10-23	2255.4
Gas Chromatography	Mycothiol_TMS_106	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O)C1O	standard non polar	2025-10-23	1359.48
Gas Chromatography	Mycothiol_TMS_107	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O	standard non polar	2025-10-23	1519.28
Gas Chromatography	Mycothiol_TMS_108	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C	standard non polar	2025-10-23	651.152
Gas Chromatography	Mycothiol_TMS_109	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	standard non polar	2025-10-23	1210.49
Gas Chromatography	Mycothiol_TMS_110	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	standard non polar	2025-10-23	2713.23
Gas Chromatography	Mycothiol_TMS_111	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-23	3341.74
Gas Chromatography	Mycothiol_TMS_112	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	standard non polar	2025-10-23	1005.51
Gas Chromatography	Mycothiol_TMS_113	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	standard non polar	2025-10-23	2182.43
Gas Chromatography	Mycothiol_TMS_114	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-23	3253.83
Gas Chromatography	Mycothiol_TMS_115	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-23	2145.9
Gas Chromatography	Mycothiol_TMS_1	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	3549.31
Gas Chromatography	Mycothiol_TMS_2	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	1682.39
Gas Chromatography	Mycothiol_TMS_3	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	standard polar	2025-10-23	2064.3
Gas Chromatography	Mycothiol_TMS_4	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	standard polar	2025-10-23	2904.34
Gas Chromatography	Mycothiol_TMS_5	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O	standard polar	2025-10-23	1886.79
Gas Chromatography	Mycothiol_TMS_6	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O	standard polar	2025-10-23	2659.91
Gas Chromatography	Mycothiol_TMS_7	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O	standard polar	2025-10-23	2299.84
Gas Chromatography	Mycothiol_TMS_8	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C	standard polar	2025-10-23	1117.28
Gas Chromatography	Mycothiol_TMS_9	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2151.33
Gas Chromatography	Mycothiol_TMS_10	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	2124.82
Gas Chromatography	Mycothiol_TMS_11	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	2544.7
Gas Chromatography	Mycothiol_TMS_12	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	1630.76
Gas Chromatography	Mycothiol_TMS_13	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	1061.98
Gas Chromatography	Mycothiol_TMS_14	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-23	1656.21
Gas Chromatography	Mycothiol_TMS_15	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1568.15
Gas Chromatography	Mycothiol_TMS_16	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	2769.33
Gas Chromatography	Mycothiol_TMS_17	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	1599.61
Gas Chromatography	Mycothiol_TMS_18	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	3337.48
Gas Chromatography	Mycothiol_TMS_19	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	951.124
Gas Chromatography	Mycothiol_TMS_20	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-23	3311.66
Gas Chromatography	Mycothiol_TMS_21	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1727.62
Gas Chromatography	Mycothiol_TMS_22	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	standard polar	2025-10-23	2596.5
Gas Chromatography	Mycothiol_TMS_23	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	standard polar	2025-10-23	1832.88
Gas Chromatography	Mycothiol_TMS_24	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	standard polar	2025-10-23	2047.09
Gas Chromatography	Mycothiol_TMS_25	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	standard polar	2025-10-23	2303.25
Gas Chromatography	Mycothiol_TMS_26	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	standard polar	2025-10-23	3159.72
Gas Chromatography	Mycothiol_TMS_27	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	standard polar	2025-10-23	1854.97
Gas Chromatography	Mycothiol_TMS_28	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	standard polar	2025-10-23	2155.34
Gas Chromatography	Mycothiol_TMS_29	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	standard polar	2025-10-23	1620.82
Gas Chromatography	Mycothiol_TMS_30	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	standard polar	2025-10-23	2321.01
Gas Chromatography	Mycothiol_TMS_31	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O)C1O	standard polar	2025-10-23	1261.65
Gas Chromatography	Mycothiol_TMS_32	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O	standard polar	2025-10-23	2110.12
Gas Chromatography	Mycothiol_TMS_33	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C	standard polar	2025-10-23	3028.0
Gas Chromatography	Mycothiol_TMS_34	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O	standard polar	2025-10-23	1475.56
Gas Chromatography	Mycothiol_TMS_35	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O	standard polar	2025-10-23	1932.02
Gas Chromatography	Mycothiol_TMS_36	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C	standard polar	2025-10-23	1706.94
Gas Chromatography	Mycothiol_TMS_37	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	standard polar	2025-10-23	2741.16
Gas Chromatography	Mycothiol_TMS_38	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	standard polar	2025-10-23	2974.91
Gas Chromatography	Mycothiol_TMS_39	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-23	2498.64
Gas Chromatography	Mycothiol_TMS_40	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2513.86
Gas Chromatography	Mycothiol_TMS_41	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2388.79
Gas Chromatography	Mycothiol_TMS_42	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2697.9
Gas Chromatography	Mycothiol_TMS_43	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1568.81
Gas Chromatography	Mycothiol_TMS_44	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	856.926
Gas Chromatography	Mycothiol_TMS_45	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2477.13
Gas Chromatography	Mycothiol_TMS_46	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	490.191
Gas Chromatography	Mycothiol_TMS_47	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	1143.69
Gas Chromatography	Mycothiol_TMS_48	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	2543.09
Gas Chromatography	Mycothiol_TMS_49	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	2197.01
Gas Chromatography	Mycothiol_TMS_50	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	2499.56
Gas Chromatography	Mycothiol_TMS_51	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-23	2641.57
Gas Chromatography	Mycothiol_TMS_52	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2774.44
Gas Chromatography	Mycothiol_TMS_53	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	3096.16
Gas Chromatography	Mycothiol_TMS_54	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	546.698
Gas Chromatography	Mycothiol_TMS_55	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	1053.08
Gas Chromatography	Mycothiol_TMS_56	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-23	3420.08
Gas Chromatography	Mycothiol_TMS_57	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2686.95
Gas Chromatography	Mycothiol_TMS_58	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	484.079
Gas Chromatography	Mycothiol_TMS_59	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-23	3156.71
Gas Chromatography	Mycothiol_TMS_60	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2723.64
Gas Chromatography	Mycothiol_TMS_61	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-23	3354.24
Gas Chromatography	Mycothiol_TMS_62	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2859.12
Gas Chromatography	Mycothiol_TMS_63	CC(=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1123.53
Gas Chromatography	Mycothiol_TMS_64	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	2615.58
Gas Chromatography	Mycothiol_TMS_65	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	3164.4
Gas Chromatography	Mycothiol_TMS_66	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	2108.49
Gas Chromatography	Mycothiol_TMS_67	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	2034.57
Gas Chromatography	Mycothiol_TMS_68	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	2122.99
Gas Chromatography	Mycothiol_TMS_69	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-23	1518.6
Gas Chromatography	Mycothiol_TMS_70	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	3686.92
Gas Chromatography	Mycothiol_TMS_71	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	1409.1
Gas Chromatography	Mycothiol_TMS_72	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	2678.82
Gas Chromatography	Mycothiol_TMS_73	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	1033.28
Gas Chromatography	Mycothiol_TMS_74	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-23	3363.07
Gas Chromatography	Mycothiol_TMS_75	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2056.34
Gas Chromatography	Mycothiol_TMS_76	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-23	2954.84
Gas Chromatography	Mycothiol_TMS_77	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-23	194.389
Gas Chromatography	Mycothiol_TMS_78	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	3043.54
Gas Chromatography	Mycothiol_TMS_79	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-23	2769.25
Gas Chromatography	Mycothiol_TMS_80	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	-187.216
Gas Chromatography	Mycothiol_TMS_81	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2020.97
Gas Chromatography	Mycothiol_TMS_82	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	standard polar	2025-10-23	3157.44
Gas Chromatography	Mycothiol_TMS_83	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	standard polar	2025-10-23	1564.0
Gas Chromatography	Mycothiol_TMS_84	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	standard polar	2025-10-23	2192.64
Gas Chromatography	Mycothiol_TMS_85	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	standard polar	2025-10-23	25.1963
Gas Chromatography	Mycothiol_TMS_86	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O[Si](C)(C)C)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	standard polar	2025-10-23	2810.09
Gas Chromatography	Mycothiol_TMS_87	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	standard polar	2025-10-23	1980.8
Gas Chromatography	Mycothiol_TMS_88	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	standard polar	2025-10-23	2113.65
Gas Chromatography	Mycothiol_TMS_89	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	standard polar	2025-10-23	2011.24
Gas Chromatography	Mycothiol_TMS_90	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	standard polar	2025-10-23	2069.74
Gas Chromatography	Mycothiol_TMS_91	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	standard polar	2025-10-23	3581.33
Gas Chromatography	Mycothiol_TMS_92	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	standard polar	2025-10-23	1256.92
Gas Chromatography	Mycothiol_TMS_93	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	standard polar	2025-10-23	147.073
Gas Chromatography	Mycothiol_TMS_94	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	standard polar	2025-10-23	3255.76
Gas Chromatography	Mycothiol_TMS_95	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	standard polar	2025-10-23	3263.39
Gas Chromatography	Mycothiol_TMS_96	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O	standard polar	2025-10-23	1992.7
Gas Chromatography	Mycothiol_TMS_97	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	standard polar	2025-10-23	2604.82
Gas Chromatography	Mycothiol_TMS_98	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	standard polar	2025-10-23	2205.78
Gas Chromatography	Mycothiol_TMS_99	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	standard polar	2025-10-23	2409.57
Gas Chromatography	Mycothiol_TMS_100	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	standard polar	2025-10-23	1606.7
Gas Chromatography	Mycothiol_TMS_101	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-23	1535.59
Gas Chromatography	Mycothiol_TMS_102	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	standard polar	2025-10-23	1686.07
Gas Chromatography	Mycothiol_TMS_103	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O)C1O	standard polar	2025-10-23	2591.81
Gas Chromatography	Mycothiol_TMS_104	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O	standard polar	2025-10-23	3368.71
Gas Chromatography	Mycothiol_TMS_105	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C	standard polar	2025-10-23	2889.39
Gas Chromatography	Mycothiol_TMS_106	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O)C1O	standard polar	2025-10-23	2501.79
Gas Chromatography	Mycothiol_TMS_107	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O	standard polar	2025-10-23	2094.81
Gas Chromatography	Mycothiol_TMS_108	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C	standard polar	2025-10-23	1727.77
Gas Chromatography	Mycothiol_TMS_109	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	standard polar	2025-10-23	2437.18
Gas Chromatography	Mycothiol_TMS_110	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	standard polar	2025-10-23	3140.65
Gas Chromatography	Mycothiol_TMS_111	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-23	2467.03
Gas Chromatography	Mycothiol_TMS_112	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	standard polar	2025-10-23	1658.49
Gas Chromatography	Mycothiol_TMS_113	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	standard polar	2025-10-23	1204.49
Gas Chromatography	Mycothiol_TMS_114	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-23	3098.64
Gas Chromatography	Mycothiol_TMS_115	CC(O)=N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-23	2840.54

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Actinobacteria	3	Human ; Human sputum; Human feces; Cattle	Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	80	Human ; Human sputum; Human feces; Cattle	Metabolic reconstruction

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

78445485

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139583440

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for Mycothiol (MMDBc0002073)

MOL for #<Metabolite:0x00007f9af04dbd30>

3D MOL for #<Metabolite:0x00007f9af04dbd30>

3D SDF for #<Metabolite:0x00007f9af04dbd30>

3D-SDF for #<Metabolite:0x00007f9af04dbd30>

PDB for #<Metabolite:0x00007f9af04dbd30>

3D PDB for #<Metabolite:0x00007f9af04dbd30>

SMILES for #<Metabolite:0x00007f9af04dbd30>

INCHI for #<Metabolite:0x00007f9af04dbd30>

Structure for #<Metabolite:0x00007f9af04dbd30>

3D Structure for #<Metabolite:0x00007f9af04dbd30>