MiMeDB: Showing metabocard for L-Ala-gamma-D-Glu-Dap (MMDBc0030199)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:58:04 UTC

Update Date

2022-08-31 17:40:37 UTC

Metabolite ID

MMDBc0030199

Metabolite Identification

Common Name

L-Ala-gamma-D-Glu-Dap

Description

L-ala-gamma-D-glu-DAP is a member of the chemical class known as Hybrid Peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta). L-alanyl-gamma-D-glutamyl-meso-diaminopimelate is related to MppA. MppA is a periplasmic binding protein in Escherichia coli essential for uptake of the cell wall murein tripeptide L-alanyl-gamma-D-glutamyl-meso-diaminopimelate. (PMID 10438753 )

Structure

MOL SDF PDB SMILES InChI

Structure #1
  Mrv0541 02241207332D          

 22 22  0  0  0  0            999 V2000
    6.4302    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
 16  8  1  4  0  0  0
  9 15  2  0  0  0  0
  9 17  1  0  0  0  0
 10 17  1  0  0  0  0
 18 10  1  4  0  0  0
 11 19  2  0  0  0  0
 11 20  1  0  0  0  0
 12 16  2  0  0  0  0
 12 21  1  0  0  0  0
 13 18  2  0  0  0  0
 13 22  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0030199

> <DATABASE_NAME>
MIME

> <SMILES>
CC(N)C(O)=NC(CCC(O)=O)C(O)=NC1=CC=CC(=N)N1

> <INCHI_IDENTIFIER>
InChI=1S/C13H19N5O4/c1-7(14)12(21)16-8(5-6-11(19)20)13(22)18-10-4-2-3-9(15)17-10/h2-4,7-8H,5-6,14H2,1H3,(H,16,21)(H,19,20)(H3,15,17,18,22)

> <INCHI_KEY>
IBYVCSBRMYGDRR-UHFFFAOYSA-N

> <FORMULA>
C13H19N5O4

> <MOLECULAR_WEIGHT>
309.3211

> <EXACT_MASS>
309.143704121

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
31.28721207536737

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-[(2-amino-1-hydroxypropylidene)amino]-4-[(6-imino-1,6-dihydropyridin-2-yl)-C-hydroxycarbonimidoyl]butanoic acid

> <ALOGPS_LOGP>
-2.29

> <JCHEM_LOGP>
-4.27086585119958

> <ALOGPS_LOGS>
-3.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
4.286055888640839

> <JCHEM_PKA_STRONGEST_ACIDIC>
-0.17206521731895563

> <JCHEM_PKA_STRONGEST_BASIC>
18.930019258614216

> <JCHEM_POLAR_SURFACE_AREA>
164.38

> <JCHEM_REFRACTIVITY>
99.8819

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.34e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-[(2-amino-1-hydroxypropylidene)amino]-4-[(6-imino-1H-pyridin-2-yl)-C-hydroxycarbonimidoyl]butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Structure #1                                      
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      12.003  11.550   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      16.004   6.160   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      16.004   4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      14.671   6.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.002   6.160   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.668   6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.669  10.780   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.336   6.930   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.671   3.850   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      13.337   6.160   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.669   9.240   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.669   6.160   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       9.336  11.550   0.000  0.00  0.00           N+0
HETATM   15  N   UNK     0      14.671   2.310   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0       9.336   8.470   0.000  0.00  0.00           N+0
HETATM   17  N   UNK     0      13.337   4.620   0.000  0.00  0.00           N+0
HETATM   18  N   UNK     0      12.003   6.930   0.000  0.00  0.00           N+0
HETATM   19  O   UNK     0       5.335   4.620   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       4.001   6.930   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      12.003   8.470   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      10.669   4.620   0.000  0.00  0.00           O+0
CONECT    1    7                                                            
CONECT    2    3    4                                                       
CONECT    3    2    9                                                       
CONECT    4    2   10                                                       
CONECT    5    6    8                                                       
CONECT    6    5   11                                                       
CONECT    7    1   12   14                                                  
CONECT    8    5   13   16                                                  
CONECT    9    3   15   17                                                  
CONECT   10    4   17   18                                                  
CONECT   11    6   19   20                                                  
CONECT   12    7   16   21                                                  
CONECT   13    8   18   22                                                  
CONECT   14    7                                                            
CONECT   15    9                                                            
CONECT   16    8   12                                                       
CONECT   17    9   10                                                       
CONECT   18   10   13                                                       
CONECT   19   11                                                            
CONECT   20   11                                                            
CONECT   21   12                                                            
CONECT   22   13                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END

Synonyms

Value	Source
L-Ala-g-D-glu-dap	Generator
L-Ala-γ-D-glu-dap	Generator
4-[(2-Amino-1-hydroxypropylidene)amino]-4-[(6-imino-1,6-dihydropyridin-2-yl)-C-hydroxycarbonimidoyl]butanoate	Generator

Molecular Formula

C₁₃H₁₉N₅O₄

Average Mass

309.3211

Monoisotopic Mass

309.143704121

IUPAC Name

4-[(2-amino-1-hydroxypropylidene)amino]-4-[(6-imino-1,6-dihydropyridin-2-yl)-C-hydroxycarbonimidoyl]butanoic acid

Traditional Name

4-[(2-amino-1-hydroxypropylidene)amino]-4-[(6-imino-1H-pyridin-2-yl)-C-hydroxycarbonimidoyl]butanoic acid

CAS Registry Number

Not Available

SMILES

CC(N)C(O)=NC(CCC(O)=O)C(O)=NC1=CC=CC(=N)N1

InChI Identifier

InChI=1S/C13H19N5O4/c1-7(14)12(21)16-8(5-6-11(19)20)13(22)18-10-4-2-3-9(15)17-10/h2-4,7-8H,5-6,14H2,1H3,(H,16,21)(H,19,20)(H3,15,17,18,22)

InChI Key

IBYVCSBRMYGDRR-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Acylaminosugars

Alternative Parents

Substituents

Oligosaccharide phosphate
Oligosaccharide
Hexacarboxylic acid or derivatives
Acylaminosugar
Saccharolipid
Hexose phosphate
N-acyl-alpha-hexosamine
C-glucuronide
C-glycosyl compound
Glycosyl compound
O-glycosyl compound
Beta-hydroxy acid
Ketal
Fatty acid ester
Dialkyl phosphate
Fatty amide
Fatty acyl
Hydroxy acid
N-acyl-amine
Alkyl phosphate
Pyran
Organic phosphoric acid derivative
Oxane
Phosphoric acid ester
Amino acid or derivatives
Secondary alcohol
Secondary carboxylic acid amide
Amino acid
Carboxamide group
Carboxylic acid ester
1,2-aminoalcohol
Organoheterocyclic compound
Carboxylic acid derivative
Acetal
Carboxylic acid
Oxacycle
Primary amine
Carbonyl group
Organic nitrogen compound
Primary aliphatic amine
Alcohol
Amine
Primary alcohol
Organic oxide
Organopnictogen compound
Hydrocarbon derivative
Organonitrogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.13 g/L	ALOGPS
logP	-2.3	ALOGPS
logP	-4.3	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	-0.17	ChemAxon
pKa (Strongest Basic)	18.93	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	164.38 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	99.88 m³·mol⁻¹	ChemAxon
Polarizability	31.29 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_5_9) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-01ox-2291000000-38d20bfeccd6193a9667	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0006-9640000000-e36d23ec2ab250ad0907	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udl-5900000000-365ab7bec0844109a8eb	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-2479000000-239a5ac85243fd7da0ae	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0abc-5591000000-d77de6753708b9b588b6	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-052f-9510000000-1de09e609196b35af68f	2015-09-15	View Spectrum
MS	Mass Spectrum (Electron Ionization)	Not Available	2022-08-06	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum

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	445.3
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	292.6
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	82.2
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	260.6
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	266.3
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	213.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	577.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	735.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	329.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	142.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	422.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	158.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	73.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	354.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	391.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	48.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	211.7
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	688.4
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	559.7

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_1	CC(N)C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C	standard non polar	2025-10-24	1553.75
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_2	CC(N)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)[NH]1	standard non polar	2025-10-24	1852.86
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_3	CC(N)C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C	standard non polar	2025-10-24	1762.76
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_4	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)[NH]1	standard non polar	2025-10-24	2605.72
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_5	CC(N)C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1	standard non polar	2025-10-24	1961.83
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_6	CC(N)C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C	standard non polar	2025-10-24	2175.81
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_7	CC(N)C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C	standard non polar	2025-10-24	1990.38
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_8	CC(N)C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2364.92
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_9	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C	standard non polar	2025-10-24	1480.63
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_10	CC(N)C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C	standard non polar	2025-10-24	1441.13
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_11	CC(N)C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2453.51
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_12	CC(N)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C	standard non polar	2025-10-24	1409.07
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_13	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)[NH]1	standard non polar	2025-10-24	1256.22
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_14	CC(N)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1	standard non polar	2025-10-24	1814.69
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_15	CC(N)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C	standard non polar	2025-10-24	3042.45
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_16	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C	standard non polar	2025-10-24	2545.48
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_17	CC(N)C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C	standard non polar	2025-10-24	2031.42
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_18	CC(N)C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1315.87
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_19	CC(C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1372.25
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_20	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1	standard non polar	2025-10-24	2066.51
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_21	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C	standard non polar	2025-10-24	2081.44
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_22	CC(N)C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-24	1970.74
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_23	CC(N)C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1453.45
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_24	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C	standard non polar	2025-10-24	1786.07
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_25	CC(N)C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C	standard non polar	2025-10-24	1964.14
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_26	CC(N)C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1780.46
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_27	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1185.14
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_28	CC(N)C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1569.44
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_29	CC(N)C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2094.89
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_30	CC(C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1897.65
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_31	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C	standard non polar	2025-10-24	1760.1
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_32	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2605.66
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_33	CC(N)C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2458.91
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_34	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C	standard non polar	2025-10-24	1979.84
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_35	CC(N)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C	standard non polar	2025-10-24	1085.21
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_36	CC(N)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1617.32
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_37	CC(C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1287.16
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_38	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1	standard non polar	2025-10-24	2321.25
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_39	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C	standard non polar	2025-10-24	2229.79
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_40	CC(N)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-24	1845.3
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_41	CC(C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1396.61
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_42	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C	standard non polar	2025-10-24	2107.21
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_43	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1455.34
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_44	CC(N)C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2179.01
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_45	CC(C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2713.92
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_46	CC(C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1199.64
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_47	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-24	1376.9
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_48	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2075.23
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_49	CC(N)C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2178.11
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_50	CC(N)C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2387.91
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_51	CC(C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1564.37
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_52	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C	standard non polar	2025-10-24	559.375
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_53	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	615.683
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_54	CC(N)C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2199.49
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_55	CC(C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1189.54
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_56	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1309.09
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_57	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2376.87
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_58	CC(N)C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1342.5
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_59	CC(C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2009.34
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_60	CC(C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2033.81
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_61	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2226.23
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_62	CC(C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1739.24
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_63	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C	standard non polar	2025-10-24	1818.45
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_64	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1370.73
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_65	CC(N)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2245.24
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_66	CC(C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	424.091
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_67	CC(C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1967.06
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_68	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-24	2909.75
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_69	CC(C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	3151.36
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_70	CC(C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1877.47
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_71	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1949.89
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_72	CC(C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1818.38
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_73	CC(C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2140.2
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_74	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1535.72
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_75	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1912.68
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_76	CC(N)C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1293.22
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_77	CC(C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1711.3
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_78	CC(C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2285.94
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_79	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1986.33
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_80	CC(C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1783.96
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_81	CC(C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N)N1[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	2025-10-24	797.128
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_82	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1342.43
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_83	CC(C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1533.41
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_84	CC(C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2012.27
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_85	CC(C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2139.26
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_86	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2027.58
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_87	CC(C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1440.69
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_88	CC(C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2385.46
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_89	CC(C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1674.92
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_90	CC(C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)N1[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	2025-10-24	731.676
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_91	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1445.77
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_92	CC(C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2520.47
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_93	CC(C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[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	2025-10-24	2671.24
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_94	CC(C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1011.01
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_95	CC(C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[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	2025-10-24	919.357
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_1	CC(N)C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C	standard polar	2025-10-24	1963.2
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_2	CC(N)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)[NH]1	standard polar	2025-10-24	2311.14
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_3	CC(N)C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C	standard polar	2025-10-24	2474.25
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_4	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)[NH]1	standard polar	2025-10-24	2689.12
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_5	CC(N)C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1	standard polar	2025-10-24	2262.52
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_6	CC(N)C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C	standard polar	2025-10-24	1834.37
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_7	CC(N)C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C	standard polar	2025-10-24	2403.1
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_8	CC(N)C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2035.49
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_9	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C	standard polar	2025-10-24	2024.63
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_10	CC(N)C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C	standard polar	2025-10-24	1504.71
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_11	CC(N)C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1869.61
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_12	CC(N)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C	standard polar	2025-10-24	2589.03
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_13	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)[NH]1	standard polar	2025-10-24	2129.21
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_14	CC(N)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1	standard polar	2025-10-24	1235.27
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_15	CC(N)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C	standard polar	2025-10-24	2912.8
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_16	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C	standard polar	2025-10-24	1910.72
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_17	CC(N)C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C	standard polar	2025-10-24	2706.63
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_18	CC(N)C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3054.97
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_19	CC(C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2529.08
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_20	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1	standard polar	2025-10-24	1811.81
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_21	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C	standard polar	2025-10-24	1594.33
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_22	CC(N)C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-24	2228.2
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_23	CC(N)C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2733.54
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_24	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C	standard polar	2025-10-24	1716.56
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_25	CC(N)C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C	standard polar	2025-10-24	2455.01
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_26	CC(N)C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2003.19
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_27	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2158.85
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_28	CC(N)C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1697.1
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_29	CC(N)C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2050.65
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_30	CC(C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2872.46
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_31	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C	standard polar	2025-10-24	2803.04
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_32	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1352.56
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_33	CC(N)C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1801.77
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_34	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C	standard polar	2025-10-24	2163.0
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_35	CC(N)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C	standard polar	2025-10-24	1180.96
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_36	CC(N)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2151.85
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_37	CC(C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1421.36
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_38	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1	standard polar	2025-10-24	1928.72
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_39	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C	standard polar	2025-10-24	1904.4
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_40	CC(N)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-24	2396.32
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_41	CC(C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2632.64
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_42	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C	standard polar	2025-10-24	552.655
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_43	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1818.66
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_44	CC(N)C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1781.37
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_45	CC(C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2420.8
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_46	CC(C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2042.09
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_47	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-24	2724.54
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_48	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2111.83
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_49	CC(N)C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2354.02
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_50	CC(N)C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1807.81
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_51	CC(C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1859.4
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_52	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C	standard polar	2025-10-24	1878.07
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_53	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2713.07
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_54	CC(N)C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2016.83
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_55	CC(C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2425.79
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_56	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1522.49
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_57	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2655.92
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_58	CC(N)C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2961.55
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_59	CC(C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2632.86
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_60	CC(C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2216.38
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_61	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2214.14
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_62	CC(C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1191.07
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_63	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C	standard polar	2025-10-24	2858.43
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_64	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1497.77
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_65	CC(N)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2228.56
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_66	CC(C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1773.63
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_67	CC(C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1335.16
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_68	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-24	2163.12
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_69	CC(C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	3495.65
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_70	CC(C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2220.94
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_71	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2155.76
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_72	CC(C(O)=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1521.28
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_73	CC(C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	3111.34
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_74	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2114.53
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_75	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2532.63
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_76	CC(N)C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1537.37
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_77	CC(C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1906.03
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_78	CC(C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2798.23
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_79	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1526.46
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_80	CC(C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2452.8
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_81	CC(C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N)N1[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	2025-10-24	3342.76
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_82	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2987.58
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_83	CC(C(=NC(CCC(=O)O)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2469.13
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_84	CC(C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1098.7
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_85	CC(C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2025.76
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_86	CC(N[Si](C)(C)C)C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2525.61
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_87	CC(C(O)=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1366.56
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_88	CC(C(O)=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1984.46
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_89	CC(C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)[NH]1)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1849.66
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_90	CC(C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N)N1[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	2025-10-24	784.338
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_91	CC(N[Si](C)(C)C)C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2732.66
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_92	CC(C(=NC(CCC(=O)O[Si](C)(C)C)C(O)=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2149.17
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_93	CC(C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[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	2025-10-24	493.909
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_94	CC(C(O)=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	632.172
Gas Chromatography	L-Ala-gamma-D-Glu-Dap_TMS_95	CC(C(=NC(CCC(=O)O[Si](C)(C)C)C(=NC1=CC=CC(=N[Si](C)(C)C)N1[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	2025-10-24	2811.41

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	Human ; Human feces; Human feces; pleural fluid plaque; bal	Unknown

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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

656477

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Li H, Park JT: The periplasmic murein peptide-binding protein MppA is a negative regulator of multiple antibiotic resistance in Escherichia coli. J Bacteriol. 1999 Aug;181(16):4842-7. doi: 10.1128/JB.181.16.4842-4847.1999. [PubMed:10438753 ]
van der Werf MJ, Overkamp KM, Muilwijk B, Coulier L, Hankemeier T: Microbial metabolomics: toward a platform with full metabolome coverage. Anal Biochem. 2007 Nov 1;370(1):17-25. doi: 10.1016/j.ab.2007.07.022. Epub 2007 Aug 1. [PubMed:17765195 ]
Keseler IM, Collado-Vides J, Santos-Zavaleta A, Peralta-Gil M, Gama-Castro S, Muniz-Rascado L, Bonavides-Martinez C, Paley S, Krummenacker M, Altman T, Kaipa P, Spaulding A, Pacheco J, Latendresse M, Fulcher C, Sarker M, Shearer AG, Mackie A, Paulsen I, Gunsalus RP, Karp PD: EcoCyc: a comprehensive database of Escherichia coli biology. Nucleic Acids Res. 2011 Jan;39(Database issue):D583-90. doi: 10.1093/nar/gkq1143. Epub 2010 Nov 21. [PubMed:21097882 ]

Showing metabocard for L-Ala-gamma-D-Glu-Dap (MMDBc0030199)

MOL for #<Metabolite:0x00007f9abd216b28>

3D MOL for #<Metabolite:0x00007f9abd216b28>

3D SDF for #<Metabolite:0x00007f9abd216b28>

3D-SDF for #<Metabolite:0x00007f9abd216b28>

PDB for #<Metabolite:0x00007f9abd216b28>

3D PDB for #<Metabolite:0x00007f9abd216b28>

SMILES for #<Metabolite:0x00007f9abd216b28>

INCHI for #<Metabolite:0x00007f9abd216b28>

Structure for #<Metabolite:0x00007f9abd216b28>

3D Structure for #<Metabolite:0x00007f9abd216b28>