MiMeDB: Showing metabocard for L-alanyl-gamma-D-glutamyl-meso-diaminoheptanedioic acid (MMDBc0056055)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-06-17 20:14:29 UTC

Update Date

2022-08-12 20:09:33 UTC

Metabolite ID

MMDBc0056055

Metabolite Identification

Common Name

L-alanyl-gamma-D-glutamyl-meso-diaminoheptanedioic acid

Description

L-alanyl-gamma-D-glutamyl-meso-diaminopimelate(1-), also known as L-alanyl-g-D-glutamyl-diaminopimelic acid or L-ala-gamma-D-glu-meso-dap(1-), belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Based on a literature review very few articles have been published on L-alanyl-gamma-D-glutamyl-meso-diaminopimelate(1-).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306172222142D          

 31 30  0  0  1  0            999 V2000
   10.1490    4.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3979    3.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5877    4.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379    4.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4485    5.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6384    5.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8789    4.8196    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0476    3.4164    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7481    4.3519    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9886    5.9110    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0983    4.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0688    4.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7186    6.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4190    5.4433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3177    2.6369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2882    4.9755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7987    5.7551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3683    4.0401    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.5287    4.3519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6974    2.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9675    4.3519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8283    3.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4780    2.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9084    6.8465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2587    7.3142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3388    4.1960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7776    4.1960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2080    3.7283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1785    6.0669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
  7 16  1  6  0  0  0
  8 17  1  1  0  0  0
  9 18  1  6  0  0  0
 18 11  2  0  0  0  0
 10 19  1  1  0  0  0
 19 12  2  0  0  0  0
 11 20  1  4  0  0  0
 12 21  1  4  0  0  0
 22 13  2  0  0  0  0
 23 13  1  0  0  0  0
 24 14  2  0  0  0  0
 25 14  1  0  0  0  0
 26 15  2  0  0  0  0
 27 15  1  0  0  0  0
  7 28  1  6  0  0  0
  8 29  1  1  0  0  0
  9 30  1  6  0  0  0
 10 31  1  1  0  0  0
M  CHG  1  20  -1
M  END


  Mrv1652306172222142D          

 31 30  0  0  1  0            999 V2000
   10.1490    4.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3979    3.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5877    4.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379    4.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4485    5.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6384    5.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8789    4.8196    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0476    3.4164    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7481    4.3519    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9886    5.9110    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0983    4.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0688    4.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7186    6.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4190    5.4433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3177    2.6369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2882    4.9755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7987    5.7551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3683    4.0401    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.5287    4.3519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6974    2.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9675    4.3519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8283    3.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4780    2.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9084    6.8465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2587    7.3142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3388    4.1960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7776    4.1960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2080    3.7283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1785    6.0669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
  7 16  1  6  0  0  0
  8 17  1  1  0  0  0
  9 18  1  6  0  0  0
 18 11  2  0  0  0  0
 10 19  1  1  0  0  0
 19 12  2  0  0  0  0
 11 20  1  4  0  0  0
 12 21  1  4  0  0  0
 22 13  2  0  0  0  0
 23 13  1  0  0  0  0
 24 14  2  0  0  0  0
 25 14  1  0  0  0  0
 26 15  2  0  0  0  0
 27 15  1  0  0  0  0
  7 28  1  6  0  0  0
  8 29  1  1  0  0  0
  9 30  1  6  0  0  0
 10 31  1  1  0  0  0
M  CHG  1  20  -1
M  END
> <DATABASE_ID>
MMDBc0056055

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@](C)(N)C(O)=N[C@]([H])(CCC([O-])=N[C@]([H])(CCC[C@]([H])(N)C(O)=O)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H26N4O8/c1-7(16)12(21)19-10(15(26)27)5-6-11(20)18-9(14(24)25)4-2-3-8(17)13(22)23/h7-10H,2-6,16-17H2,1H3,(H,18,20)(H,19,21)(H,22,23)(H,24,25)(H,26,27)/p-1/t7-,8-,9+,10+/m0/s1

> <INCHI_KEY>
FMNCPUGORYYCEM-AXTSPUMRSA-M

> <FORMULA>
C15H25N4O8

> <MOLECULAR_WEIGHT>
389.386

> <EXACT_MASS>
389.167787361

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
37.65418067626577

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4R)-N-[(1R,5S)-5-amino-1,5-dicarboxypentyl]-4-{[(2S)-2-amino-1-hydroxypropylidene]amino}-4-carboxybutanecarboximidate

> <JCHEM_LOGP>
-5.633571745676178

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.002243170790513

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8955442579246076

> <JCHEM_PKA_STRONGEST_BASIC>
9.849698062630521

> <JCHEM_POLAR_SURFACE_AREA>
231.94999999999996

> <JCHEM_REFRACTIVITY>
100.6183

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(4R)-N-[(1R,5S)-5-amino-1,5-dicarboxypentyl]-4-{[(2S)-2-amino-1-hydroxypropylidene]amino}-4-carboxybutanecarboximidate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUN-22         0                                  
HETATM    1  C   UNK     0      18.945   7.541   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.343   7.250   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.830   7.541   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.351   8.415   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.904   9.870   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.392  10.161   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      18.441   8.997   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.822   6.377   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.863   8.124   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      14.912  11.034   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      11.383   8.997   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      16.928   9.288   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.310   6.668   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.367   6.668   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      14.408  12.489   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0      19.449  10.161   0.000  0.00  0.00           N+0
HETATM   17  N   UNK     0       4.326   4.922   0.000  0.00  0.00           N+0
HETATM   18  N   UNK     0       9.871   9.288   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0      16.424  10.743   0.000  0.00  0.00           N+0
HETATM   20  O   UNK     0      11.888   7.541   0.000  0.00  0.00           O-1
HETATM   21  O   UNK     0      15.920   8.124   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       1.302   5.504   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       1.806   8.124   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      10.879   6.377   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       8.359   5.504   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      12.896  12.780   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      15.416  13.653   0.000  0.00  0.00           O+0
HETATM   28  H   UNK     0      17.432   7.833   0.000  0.00  0.00           H+0
HETATM   29  H   UNK     0       3.318   7.833   0.000  0.00  0.00           H+0
HETATM   30  H   UNK     0       7.855   6.959   0.000  0.00  0.00           H+0
HETATM   31  H   UNK     0      13.400  11.325   0.000  0.00  0.00           H+0
CONECT    1    7                                                            
CONECT    2    3    4                                                       
CONECT    3    2    8                                                       
CONECT    4    2    9                                                       
CONECT    5    6   10                                                       
CONECT    6    5   11                                                       
CONECT    7    1   12   16   28                                             
CONECT    8    3   13   17   29                                             
CONECT    9    4   14   18   30                                             
CONECT   10    5   15   19   31                                             
CONECT   11    6   18   20                                                  
CONECT   12    7   19   21                                                  
CONECT   13    8   22   23                                                  
CONECT   14    9   24   25                                                  
CONECT   15   10   26   27                                                  
CONECT   16    7                                                            
CONECT   17    8                                                            
CONECT   18    9   11                                                       
CONECT   19   10   12                                                       
CONECT   20   11                                                            
CONECT   21   12                                                            
CONECT   22   13                                                            
CONECT   23   13                                                            
CONECT   24   14                                                            
CONECT   25   14                                                            
CONECT   26   15                                                            
CONECT   27   15                                                            
CONECT   28    7                                                            
CONECT   29    8                                                            
CONECT   30    9                                                            
CONECT   31   10                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   60    0
END

Synonyms

Value	Source
L-Ala-gamma-D-glu-meso-dap(1-)	ChEBI
L-Alanyl-D-glutamyl-diaminopimelate anion	ChEBI
L-Alanyl-gamma-D-glutamyl-diaminopimelate	ChEBI
L-Alanyl-gamma-D-glutamyl-meso-diaminoheptanedioate	ChEBI
L-Alanyl-gamma-D-glutamyl-meso-diaminopimelate	ChEBI
L-Alanyl-gamma-D-glutamyl-meso-diaminopimelate anion	ChEBI
L-Ala-g-D-glu-meso-dap(1-)	Generator
L-Ala-γ-D-glu-meso-dap(1-)	Generator
L-Alanyl-D-glutamyl-diaminopimelic acid anion	Generator
L-Alanyl-g-D-glutamyl-diaminopimelate	Generator
L-Alanyl-g-D-glutamyl-diaminopimelic acid	Generator
L-Alanyl-gamma-D-glutamyl-diaminopimelic acid	Generator
L-Alanyl-γ-D-glutamyl-diaminopimelate	Generator
L-Alanyl-γ-D-glutamyl-diaminopimelic acid	Generator
L-Alanyl-g-D-glutamyl-meso-diaminoheptanedioate	Generator
L-Alanyl-g-D-glutamyl-meso-diaminoheptanedioic acid	Generator
L-Alanyl-gamma-D-glutamyl-meso-diaminoheptanedioic acid	Generator
L-Alanyl-γ-D-glutamyl-meso-diaminoheptanedioate	Generator
L-Alanyl-γ-D-glutamyl-meso-diaminoheptanedioic acid	Generator
L-Alanyl-g-D-glutamyl-meso-diaminopimelate	Generator
L-Alanyl-g-D-glutamyl-meso-diaminopimelic acid	Generator
L-Alanyl-gamma-D-glutamyl-meso-diaminopimelic acid	Generator
L-Alanyl-γ-D-glutamyl-meso-diaminopimelate	Generator
L-Alanyl-γ-D-glutamyl-meso-diaminopimelic acid	Generator
L-Alanyl-g-D-glutamyl-meso-diaminopimelate anion	Generator
L-Alanyl-g-D-glutamyl-meso-diaminopimelic acid anion	Generator
L-Alanyl-gamma-D-glutamyl-meso-diaminopimelic acid anion	Generator
L-Alanyl-γ-D-glutamyl-meso-diaminopimelate anion	Generator
L-Alanyl-γ-D-glutamyl-meso-diaminopimelic acid anion	Generator
L-Alanyl-g-D-glutamyl-meso-diaminopimelate(1-)	Generator
L-Alanyl-g-D-glutamyl-meso-diaminopimelic acid(1-)	Generator
L-Alanyl-gamma-D-glutamyl-meso-diaminopimelic acid(1-)	Generator
L-Alanyl-γ-D-glutamyl-meso-diaminopimelate(1-)	Generator
L-Alanyl-γ-D-glutamyl-meso-diaminopimelic acid(1-)	Generator

Molecular Formula

C₁₅H₂₅N₄O₈

Average Mass

389.386

Monoisotopic Mass

389.167787361

IUPAC Name

(4R)-N-[(1R,5S)-5-amino-1,5-dicarboxypentyl]-4-{[(2S)-2-amino-1-hydroxypropylidene]amino}-4-carboxybutanecarboximidate

Traditional Name

(4R)-N-[(1R,5S)-5-amino-1,5-dicarboxypentyl]-4-{[(2S)-2-amino-1-hydroxypropylidene]amino}-4-carboxybutanecarboximidate

CAS Registry Number

Not Available

SMILES

[H][C@@](C)(N)C(O)=N[C@]([H])(CCC([O-])=N[C@]([H])(CCC[C@]([H])(N)C(O)=O)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C15H26N4O8/c1-7(16)12(21)19-10(15(26)27)5-6-11(20)18-9(14(24)25)4-2-3-8(17)13(22)23/h7-10H,2-6,16-17H2,1H3,(H,18,20)(H,19,21)(H,22,23)(H,24,25)(H,26,27)/p-1/t7-,8-,9+,10+/m0/s1

InChI Key

FMNCPUGORYYCEM-AXTSPUMRSA-M

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Gamma-glutamyl alpha-amino acid
Glutamine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alanine or derivatives
Alpha-amino acid
Alpha-amino acid or derivatives
L-alpha-amino acid
Tricarboxylic acid or derivatives
N-acyl-amine
Fatty acyl
Fatty amide
Amino acid or derivatives
Secondary carboxylic acid amide
Carboxylic acid salt
Carboxamide group
Amino acid
Carboxylic acid
Organic nitrogen compound
Organic oxygen compound
Organonitrogen compound
Primary aliphatic amine
Organooxygen compound
Primary amine
Organic salt
Hydrocarbon derivative
Carbonyl group
Organic oxide
Amine
Organopnictogen compound
Organic anion
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

peptide anion (CHEBI:61401 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
logP	-5.6	ChemAxon
pKa (Strongest Acidic)	1.9	ChemAxon
pKa (Strongest Basic)	9.85	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	231.95 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	100.62 m³·mol⁻¹	ChemAxon
Polarizability	37.65 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

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

Metabolic Reactions

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	Proteobacteria	4	Human

Exposure Sources

Source Type	Source Sub-type	Species	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

26332218

KEGG Compound ID

Not Available

BioCyc ID

L-ALA-GAMMA-D-GLU-DAP

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

50909834

PDB ID

Not Available

ChEBI ID

61401

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

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

Showing metabocard for L-alanyl-gamma-D-glutamyl-meso-diaminoheptanedioic acid (MMDBc0056055)

MOL for #<Metabolite:0x00007fecad77e3a8>

3D MOL for #<Metabolite:0x00007fecad77e3a8>

3D SDF for #<Metabolite:0x00007fecad77e3a8>

3D-SDF for #<Metabolite:0x00007fecad77e3a8>

PDB for #<Metabolite:0x00007fecad77e3a8>

3D PDB for #<Metabolite:0x00007fecad77e3a8>

SMILES for #<Metabolite:0x00007fecad77e3a8>

INCHI for #<Metabolite:0x00007fecad77e3a8>

Structure for #<Metabolite:0x00007fecad77e3a8>

3D Structure for #<Metabolite:0x00007fecad77e3a8>