MiMeDB: Showing metabocard for UDP-N-Acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino-heptanedioate (MMDBc0031776)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:48:52 UTC

Update Date

2022-08-31 18:24:40 UTC

MiMeDB ID

MMDBc0031776

Metabolite Identification

Common Name

UDP-N-Acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino-heptanedioate

Description

UDP-N-Acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino-heptanedioate is an intermediate in peptidoglycan synthesis. It is a substrate for UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase which catalyzes the addition of meso-diaminopimelic acid to the nucleotide precursor UDP-N-acetylmuramoyl-L-alanyl-D-glutamate (UMAG) in the biosynthesis of bacterial cell-wall peptidoglycan.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
UDP-N-Acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminoheptanedioate	Kegg
UDP-N-Acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminoheptanedioate	Kegg
UDP-N-Acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimelate	Kegg
UDP-N-Acetylmuramoyl-L-alanyl-g-D-glutamyl-meso-2,6-diaminoheptanedioate	Generator
UDP-N-Acetylmuramoyl-L-alanyl-g-D-glutamyl-meso-2,6-diaminoheptanedioic acid	Generator
UDP-N-Acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminoheptanedioic acid	Generator
UDP-N-Acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminoheptanedioate	Generator
UDP-N-Acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminoheptanedioic acid	Generator
UDP-N-Acetyl-a-D-muramoyl-L-alanyl-g-D-glutamyl-meso-2,6-diaminoheptanedioate	Generator
UDP-N-Acetyl-a-D-muramoyl-L-alanyl-g-D-glutamyl-meso-2,6-diaminoheptanedioic acid	Generator
UDP-N-Acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminoheptanedioic acid	Generator
UDP-N-Acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminoheptanedioate	Generator
UDP-N-Acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminoheptanedioic acid	Generator
UDP-N-Acetylmuramoyl-L-alanyl-D-g-glutamyl-meso-2,6-diaminopimelate	Generator
UDP-N-Acetylmuramoyl-L-alanyl-D-g-glutamyl-meso-2,6-diaminopimelic acid	Generator
UDP-N-Acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimelic acid	Generator
UDP-N-Acetylmuramoyl-L-alanyl-D-γ-glutamyl-meso-2,6-diaminopimelate	Generator
UDP-N-Acetylmuramoyl-L-alanyl-D-γ-glutamyl-meso-2,6-diaminopimelic acid	Generator
UDP-N-Acetylmuramoyl-L-alanyl-D-g-glutamyl-meso-2,6-diamino-heptanedioate	Generator
UDP-N-Acetylmuramoyl-L-alanyl-D-g-glutamyl-meso-2,6-diamino-heptanedioic acid	Generator
UDP-N-Acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino-heptanedioic acid	Generator
UDP-N-Acetylmuramoyl-L-alanyl-D-γ-glutamyl-meso-2,6-diamino-heptanedioate	Generator
UDP-N-Acetylmuramoyl-L-alanyl-D-γ-glutamyl-meso-2,6-diamino-heptanedioic acid	Generator
UDP-N-Acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino-heptanedioate	KEGG
UDP-N-Acetylmuramoyl-L-alanyl-g-D-glutamyl-meso-2,6-diaminopimelate	Generator
UDP-N-Acetylmuramoyl-L-alanyl-g-D-glutamyl-meso-2,6-diaminopimelic acid	Generator
UDP-N-Acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimelic acid	Generator
UDP-N-Acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimelate	Generator
UDP-N-Acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimelic acid	Generator

Chemical Formula

C₃₅H₅₅N₇O₂₆P₂

Average Molecular Weight

1051.79

Monoisotopic Molecular Weight

1051.267197991

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C35H55N7O26P2/c1-13(28(50)40-18(33(56)57)7-8-21(45)39-17(32(54)55)6-4-5-16(36)31(52)53)37-29(51)14(2)64-27-23(38-15(3)44)34(66-19(11-43)25(27)48)67-70(61,62)68-69(59,60)63-12-20-24(47)26(49)30(65-20)42-10-9-22(46)41-35(42)58/h9-10,13-14,16-20,23-27,30,34,43,47-49H,4-8,11-12,36H2,1-3H3,(H,37,51)(H,38,44)(H,39,45)(H,40,50)(H,52,53)(H,54,55)(H,56,57)(H,59,60)(H,61,62)(H,41,46,58)/t13-,14-,16-,17+,18?,19-,20-,23-,24-,25-,26-,27-,30-,34-/m1/s1

InChI Key

QUHLBZKCGUXHGP-YXVFMYSNSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 3-enoyl coas. These are organic compounds containing a coenzyme A substructure linked to a 3-enoyl chain.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acyl thioesters

Direct Parent

3-enoyl CoAs

Alternative Parents

Substituents

Coenzyme a or derivatives
Purine ribonucleoside 3',5'-bisphosphate
Purine ribonucleoside bisphosphate
Purine ribonucleoside diphosphate
Ribonucleoside 3'-phosphate
Pentose phosphate
Pentose-5-phosphate
Beta amino acid or derivatives
Glycosyl compound
N-glycosyl compound
6-aminopurine
Monosaccharide phosphate
Organic pyrophosphate
Pentose monosaccharide
Imidazopyrimidine
Purine
Monoalkyl phosphate
Aminopyrimidine
Imidolactam
N-acyl-amine
N-substituted imidazole
Organic phosphoric acid derivative
Monosaccharide
Pyrimidine
Alkyl phosphate
Fatty amide
Phosphoric acid ester
Tetrahydrofuran
Imidazole
Azole
Heteroaromatic compound
Carbothioic s-ester
Secondary alcohol
Thiocarboxylic acid ester
Carboxamide group
Secondary carboxylic acid amide
Amino acid or derivatives
Sulfenyl compound
Thiocarboxylic acid or derivatives
Organoheterocyclic compound
Azacycle
Oxacycle
Carboxylic acid derivative
Organosulfur compound
Organic oxygen compound
Hydrocarbon derivative
Carbonyl group
Organic nitrogen compound
Primary amine
Organopnictogen compound
Organic oxide
Organooxygen compound
Organonitrogen compound
Alcohol
Amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Fatty acyl CoAs (LMFA07050009 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

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

Proteins

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Related Health Condition	Evidence Type	Measured in Matrix	Data Source	Reference

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
	Proteobacteria	1	Human	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

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

C04877

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

53297336

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Sajed T, Marcu A, Ramirez M, Pon A, Guo AC, Knox C, Wilson M, Grant JR, Djoumbou Y, Wishart DS: ECMDB 2.0: A richer resource for understanding the biochemistry of E. coli. Nucleic Acids Res. 2016 Jan 4;44(D1):D495-501. doi: 10.1093/nar/gkv1060. Epub 2015 Oct 19. [PubMed:26481353 ]

Showing metabocard for UDP-N-Acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino-heptanedioate (MMDBc0031776)

MOL for #<Metabolite:0x000055b76dc1d890>

3D MOL for #<Metabolite:0x000055b76dc1d890>

3D SDF for #<Metabolite:0x000055b76dc1d890>

3D-SDF for #<Metabolite:0x000055b76dc1d890>

PDB for #<Metabolite:0x000055b76dc1d890>

3D PDB for #<Metabolite:0x000055b76dc1d890>

SMILES for #<Metabolite:0x000055b76dc1d890>

INCHI for #<Metabolite:0x000055b76dc1d890>

Structure for #<Metabolite:0x000055b76dc1d890>

3D Structure for #<Metabolite:0x000055b76dc1d890>