MiMeDB: Showing metabocard for L-alanyl-L-homoserinyl-L-aspartic acid (MMDBc0013210)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-15 04:32:59 UTC

Update Date

2025-10-07 16:06:06 UTC

Metabolite ID

MMDBc0013210

Metabolite Identification

Common Name

L-alanyl-L-homoserinyl-L-aspartic acid

Description

L-alanyl-L-homoserinyl-L-aspartic acid is a peptide belonging to the class of amino acids. There is limited literature available on this metabolite, indicating a need for further research to understand its biological significance and potential applications.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152106322D          

 24 23  0  0  1  0            999 V2000
    0.8250    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6039    1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7474    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
  5 12  1  6  0  0  0
  6 13  1  1  0  0  0
 13  9  2  0  0  0  0
  7 14  1  6  0  0  0
 14 10  2  0  0  0  0
 15  3  1  0  0  0  0
 16  8  2  0  0  0  0
 17  8  1  0  0  0  0
  9 18  1  4  0  0  0
 10 19  1  4  0  0  0
 20 11  2  0  0  0  0
 21 11  1  0  0  0  0
  5 22  1  6  0  0  0
  6 23  1  1  0  0  0
  7 24  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0013210

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@](C)(N)C(O)=N[C@@]([H])(CCO)C(O)=N[C@@]([H])(CC(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H19N3O7/c1-5(12)9(18)13-6(2-3-15)10(19)14-7(11(20)21)4-8(16)17/h5-7,15H,2-4,12H2,1H3,(H,13,18)(H,14,19)(H,16,17)(H,20,21)/t5-,6-,7-/m0/s1

> <INCHI_KEY>
OGSAEMMXCPDVRH-ACZMJKKPSA-N

> <FORMULA>
C11H19N3O7

> <MOLECULAR_WEIGHT>
305.287

> <EXACT_MASS>
305.122299964

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
28.85478872805703

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-{[(2S)-2-{[(2S)-2-amino-1-hydroxypropylidene]amino}-1,4-dihydroxybutylidene]amino}butanedioic acid

> <ALOGPS_LOGP>
-3.32

> <JCHEM_LOGP>
-4.195527979151416

> <ALOGPS_LOGS>
-2.51

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.620339348779961

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.9970097400966162

> <JCHEM_PKA_STRONGEST_BASIC>
9.56965484536471

> <JCHEM_POLAR_SURFACE_AREA>
186.02999999999997

> <JCHEM_REFRACTIVITY>
68.58000000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.44e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-{[(2S)-2-{[(2S)-2-amino-1-hydroxypropylidene]amino}-1,4-dihydroxybutylidene]amino}butanedioic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-MAY-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-MAY-21         0                                  
HETATM    1  C   UNK     0       1.540   7.700   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.461   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.795   3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.874   0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.206   6.930   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.127   3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.207   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.206   5.390   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.206   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.540  -1.540   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      -1.127   7.700   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      -1.127   4.620   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0       0.206   0.770   0.000  0.00  0.00           N+0
HETATM   15  O   UNK     0      -5.128   2.310   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       5.541   0.770   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       4.207  -1.540   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       1.540   4.620   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       1.540   3.080   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       2.874  -2.310   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       0.206  -2.310   0.000  0.00  0.00           O+0
HETATM   22  H   UNK     0       1.540   6.160   0.000  0.00  0.00           H+0
HETATM   23  H   UNK     0      -1.127   1.540   0.000  0.00  0.00           H+0
HETATM   24  H   UNK     0       2.874  -0.770   0.000  0.00  0.00           H+0
CONECT    1    5                                                            
CONECT    2    3    6                                                       
CONECT    3    2   15                                                       
CONECT    4    7    8                                                       
CONECT    5    1    9   12   22                                             
CONECT    6    2   10   13   23                                             
CONECT    7    4   11   14   24                                             
CONECT    8    4   16   17                                                  
CONECT    9    5   13   18                                                  
CONECT   10    6   14   19                                                  
CONECT   11    7   20   21                                                  
CONECT   12    5                                                            
CONECT   13    6    9                                                       
CONECT   14    7   10                                                       
CONECT   15    3                                                            
CONECT   16    8                                                            
CONECT   17    8                                                            
CONECT   18    9                                                            
CONECT   19   10                                                            
CONECT   20   11                                                            
CONECT   21   11                                                            
CONECT   22    5                                                            
CONECT   23    6                                                            
CONECT   24    7                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   46    0
END

Synonyms

Not Available

Molecular Formula

C₁₁H₁₉N₃O₇

Average Mass

305.287

Monoisotopic Mass

305.122299964

IUPAC Name

(2S)-2-{[(2S)-2-{[(2S)-2-amino-1-hydroxypropylidene]amino}-1,4-dihydroxybutylidene]amino}butanedioic acid

Traditional Name

(2S)-2-{[(2S)-2-{[(2S)-2-amino-1-hydroxypropylidene]amino}-1,4-dihydroxybutylidene]amino}butanedioic acid

CAS Registry Number

Not Available

SMILES

[H][C@@](C)(N)C(O)=N[C@@]([H])(CCO)C(O)=N[C@@]([H])(CC(O)=O)C(O)=O

InChI Identifier

InChI=1S/C11H19N3O7/c1-5(12)9(18)13-6(2-3-15)10(19)14-7(11(20)21)4-8(16)17/h5-7,15H,2-4,12H2,1H3,(H,13,18)(H,14,19)(H,16,17)(H,20,21)/t5-,6-,7-/m0/s1

InChI Key

OGSAEMMXCPDVRH-ACZMJKKPSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Aspartic acid or derivatives
N-acyl-l-alpha-amino acid
Acyl-l-homoserine
Acyl-homoserine
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alanine or derivatives
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Dicarboxylic acid or derivatives
Fatty amide
Fatty acyl
Fatty acid
N-acyl-amine
Amino acid or derivatives
Carboxamide group
Amino acid
Secondary carboxylic acid amide
Carboxylic acid
Organic oxygen compound
Primary aliphatic amine
Hydrocarbon derivative
Organic nitrogen compound
Carbonyl group
Alcohol
Amine
Organic oxide
Primary amine
Primary alcohol
Organonitrogen compound
Organooxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.94 g/L	ALOGPS
logP	-3.3	ALOGPS
logP	-4.2	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	3	ChemAxon
pKa (Strongest Basic)	9.57	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	186.03 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	68.58 m³·mol⁻¹	ChemAxon
Polarizability	28.85 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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	570.9
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	456.4
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	53.5
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	242.3
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	306.0
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	242.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	405.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	850.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	740.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	145.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	537.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	162.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	37.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	474.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	572.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	52.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	251.2
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	709.0
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	561.2

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_1	C[C@H](N)C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C	standard non polar	2025-10-23	2194.85
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_2	C[C@H](N)C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O	standard non polar	2025-10-23	1500.85
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_3	C[C@H](N)C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C	standard non polar	2025-10-23	2117.42
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_4	C[C@H](N)C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1785.34
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_5	C[C@H](N)C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1139.17
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_6	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O	standard non polar	2025-10-23	2522.89
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_7	C[C@H](N)C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C	standard non polar	2025-10-23	2772.43
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_8	C[C@H](N)C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1461.98
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_9	C[C@H](N)C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	standard non polar	2025-10-23	2053.26
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_10	C[C@H](N)C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2094.39
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_11	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C	standard non polar	2025-10-23	1089.84
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_12	C[C@H](N)C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C	standard non polar	2025-10-23	1855.09
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_13	C[C@H](N)C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2351.79
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_14	C[C@H](N)C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1957.72
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_15	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O	standard non polar	2025-10-23	1036.79
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_16	C[C@H](N)C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	standard non polar	2025-10-23	1721.26
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_17	C[C@H](N)C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1430.05
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_18	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C	standard non polar	2025-10-23	1922.82
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_19	C[C@H](N)C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1784.73
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_20	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2048.83
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_21	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1588.73
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_22	C[C@@H](C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2171.85
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_23	C[C@H](N)C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1368.65
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_24	C[C@H](N)C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	standard non polar	2025-10-23	2611.03
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_25	C[C@H](N)C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2209.43
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_26	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C	standard non polar	2025-10-23	1908.82
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_27	C[C@H](N)C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1152.32
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_28	C[C@H](N)C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2059.82
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_29	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1974.8
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_30	C[C@H](N)C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1471.91
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_31	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	standard non polar	2025-10-23	2570.55
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_32	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2559.17
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_33	C[C@@H](C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2402.06
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_34	C[C@H](N)C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	standard non polar	2025-10-23	2446.3
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_35	C[C@H](N)C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1180.42
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_36	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C	standard non polar	2025-10-23	1849.62
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_37	C[C@H](N)C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2047.59
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_38	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1435.2
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_39	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1597.45
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_40	C[C@@H](C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1204.07
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_41	C[C@H](N)C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1607.74
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_42	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	standard non polar	2025-10-23	2550.26
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_43	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2279.62
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_44	C[C@@H](C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1603.62
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_45	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	3016.16
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_46	C[C@@H](C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2418.05
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_47	C[C@@H](C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2192.75
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_48	C[C@H](N)C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2317.87
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_49	C[C@H](N)C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2042.18
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_50	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2081.68
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_51	C[C@H](N)C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2262.19
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_52	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	standard non polar	2025-10-23	2601.77
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_53	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1447.63
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_54	C[C@@H](C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1911.46
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_55	C[C@H](N)C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1955.91
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_56	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2156.39
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_57	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1488.78
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_58	C[C@@H](C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1476.11
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_59	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1369.26
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_60	C[C@@H](C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1648.11
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_61	C[C@@H](C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1237.25
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_62	C[C@H](N)C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2406.39
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_63	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	standard non polar	2025-10-23	2204.89
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_64	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1827.48
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_65	C[C@@H](C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1763.17
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_66	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1715.99
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_67	C[C@@H](C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1644.4
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_68	C[C@@H](C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2395.75
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_69	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2683.42
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_70	C[C@@H](C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1774.35
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_71	C[C@@H](C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2965.16
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_72	C[C@@H](C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1591.43
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_73	C[C@H](N)C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2926.63
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_74	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2307.53
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_75	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2132.57
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_76	C[C@@H](C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2750.42
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_77	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1178.25
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_78	C[C@@H](C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1647.39
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_79	C[C@@H](C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2423.36
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_80	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2659.48
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_81	C[C@@H](C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1443.07
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_82	C[C@@H](C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1591.42
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_83	C[C@@H](C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2029.18
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_84	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1579.33
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_85	C[C@@H](C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2466.59
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_86	C[C@@H](C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1662.25
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_87	C[C@@H](C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	2364.28
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_88	C[C@@H](C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1629.88
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_89	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2580.41
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_90	C[C@@H](C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1409.52
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_91	C[C@@H](C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1862.37
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_92	C[C@@H](C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1894.18
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_93	C[C@@H](C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	646.41
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_94	C[C@@H](C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	1415.63
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_95	C[C@@H](C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-23	3027.95
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_1	C[C@H](N)C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C	standard polar	2025-10-23	2417.87
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_2	C[C@H](N)C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O	standard polar	2025-10-23	1586.52
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_3	C[C@H](N)C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C	standard polar	2025-10-23	2027.4
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_4	C[C@H](N)C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2161.26
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_5	C[C@H](N)C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2171.86
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_6	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O	standard polar	2025-10-23	2053.1
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_7	C[C@H](N)C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C	standard polar	2025-10-23	2258.92
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_8	C[C@H](N)C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2078.65
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_9	C[C@H](N)C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	standard polar	2025-10-23	2693.61
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_10	C[C@H](N)C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2379.13
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_11	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C	standard polar	2025-10-23	1715.51
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_12	C[C@H](N)C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C	standard polar	2025-10-23	1224.59
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_13	C[C@H](N)C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1651.59
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_14	C[C@H](N)C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2011.95
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_15	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O	standard polar	2025-10-23	1881.56
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_16	C[C@H](N)C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	standard polar	2025-10-23	2190.28
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_17	C[C@H](N)C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2155.63
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_18	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C	standard polar	2025-10-23	1684.0
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_19	C[C@H](N)C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1622.34
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_20	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2210.27
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_21	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2209.26
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_22	C[C@@H](C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	807.995
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_23	C[C@H](N)C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2364.37
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_24	C[C@H](N)C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	standard polar	2025-10-23	2045.28
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_25	C[C@H](N)C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1826.17
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_26	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C	standard polar	2025-10-23	2482.41
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_27	C[C@H](N)C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2596.24
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_28	C[C@H](N)C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1658.08
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_29	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2553.04
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_30	C[C@H](N)C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1673.92
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_31	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	standard polar	2025-10-23	2076.61
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_32	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2024.67
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_33	C[C@@H](C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2162.89
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_34	C[C@H](N)C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	standard polar	2025-10-23	2247.05
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_35	C[C@H](N)C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2060.4
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_36	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C	standard polar	2025-10-23	1973.23
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_37	C[C@H](N)C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1375.85
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_38	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	3320.1
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_39	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2381.91
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_40	C[C@@H](C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1666.43
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_41	C[C@H](N)C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1231.32
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_42	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	standard polar	2025-10-23	2750.55
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_43	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1038.97
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_44	C[C@@H](C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1804.25
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_45	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1571.89
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_46	C[C@@H](C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1868.21
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_47	C[C@@H](C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1806.04
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_48	C[C@H](N)C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1737.42
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_49	C[C@H](N)C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2504.86
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_50	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1473.87
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_51	C[C@H](N)C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	3022.17
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_52	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	standard polar	2025-10-23	2301.85
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_53	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2010.29
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_54	C[C@@H](C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1571.57
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_55	C[C@H](N)C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2291.25
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_56	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2184.65
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_57	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1818.35
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_58	C[C@@H](C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1356.1
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_59	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2407.68
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_60	C[C@@H](C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1952.04
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_61	C[C@@H](C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2228.52
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_62	C[C@H](N)C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	-262.361
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_63	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	standard polar	2025-10-23	1418.65
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_64	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1588.03
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_65	C[C@@H](C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1837.95
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_66	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2502.15
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_67	C[C@@H](C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2313.58
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_68	C[C@@H](C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2025.53
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_69	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	4118.24
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_70	C[C@@H](C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2764.52
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_71	C[C@@H](C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2407.7
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_72	C[C@@H](C(O)=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2136.64
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_73	C[C@H](N)C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2522.58
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_74	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2861.8
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_75	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	3037.16
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_76	C[C@@H](C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2231.28
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_77	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1708.1
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_78	C[C@@H](C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2064.9
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_79	C[C@@H](C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2136.95
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_80	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1801.94
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_81	C[C@@H](C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1543.54
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_82	C[C@@H](C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2795.49
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_83	C[C@@H](C(=N[C@@H](CCO)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2190.53
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_84	C[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2075.12
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_85	C[C@@H](C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1534.12
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_86	C[C@@H](C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	3013.95
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_87	C[C@@H](C(O)=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2606.92
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_88	C[C@@H](C(O)=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2172.67
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_89	C[C@H](N[Si](C)(C)C)C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2843.22
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_90	C[C@@H](C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2176.14
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_91	C[C@@H](C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1046.06
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_92	C[C@@H](C(=N[C@@H](CCO[Si](C)(C)C)C(O)=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1910.42
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_93	C[C@@H](C(=N[C@@H](CCO)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1442.77
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_94	C[C@@H](C(O)=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	2877.24
Gas Chromatography	L-alanyl-L-homoserinyl-L-aspartic acid_TMS_95	C[C@@H](C(=N[C@@H](CCO[Si](C)(C)C)C(=N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-23	1427.32

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/Eubacteria	Proteobacteria	1		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

78437801

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

25150673

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

van Santen JA, Poynton EF, Iskakova D, McMann E, Alsup TA, Clark TN, Fergusson CH, Fewer DP, Hughes AH, McCadden CA, Parra J, Soldatou S, Rudolf JD, Janssen EM, Duncan KR, Linington RG: The Natural Products Atlas 2.0: a database of microbially-derived natural products. Nucleic Acids Res. 2022 Jan 7;50(D1):D1317-D1323. doi: 10.1093/nar/gkab941. [PubMed:34718710 ]

Showing metabocard for L-alanyl-L-homoserinyl-L-aspartic acid (MMDBc0013210)

MOL for #<Metabolite:0x0000564321747268>

3D MOL for #<Metabolite:0x0000564321747268>

3D SDF for #<Metabolite:0x0000564321747268>

3D-SDF for #<Metabolite:0x0000564321747268>

PDB for #<Metabolite:0x0000564321747268>

3D PDB for #<Metabolite:0x0000564321747268>

SMILES for #<Metabolite:0x0000564321747268>

INCHI for #<Metabolite:0x0000564321747268>

Structure for #<Metabolite:0x0000564321747268>

3D Structure for #<Metabolite:0x0000564321747268>