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CHEBI:16576 - D-alanyl-D-alanine

ChEBI IDCHEBI:16576
ChEBI NameD-alanyl-D-alanine
Stars
ASCII NameD-alanyl-D-alanine
DefinitionA dipeptide comprising D-alanine with a D-alanyl residue attached to the α-nitrogen. It is a component of bacterial peptidoglycan and forms an important target for development of antibacterial drugs .
Secondary ChEBI IDsCHEBI:4088, CHEBI:12900, CHEBI:13749, CHEBI:20894
Last Modified25 January 2016
DownloadsMolfile
FormulaC6H12N2O3
Net Charge0
Average Mass160.173
Monoisotopic Mass160.08479
SMILESC[C@@H](N)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1
InChIKeyDEFJQIDDEAULHB-QWWZWVQMSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
D-alanyl-D-alanine (CHEBI:16576) has role Escherichia coli metabolite (CHEBI:76971)
D-alanyl-D-alanine (CHEBI:16576) is a dipeptide (CHEBI:46761)
D-alanyl-D-alanine (CHEBI:16576) is tautomer of D-alanyl-D-alanine zwitterion (CHEBI:57822)
Incoming Relation(s)
D-alanyl-D-alanine zwitterion (CHEBI:57822) is tautomer of D-alanyl-D-alanine (CHEBI:16576)
Synonyms  Source
D-Alanyl-D-alanineKEGG COMPOUND
D-Ala-D-AlaJCBN
(D-Ala)2ChEBI
H-D-Ala-D-Ala-OHChEBI
D-Ala-D-AlaKEGG COMPOUND
Manual XrefsDatabases
C00993KEGG COMPOUND
HMDB0003459HMDB
C00019576KNApSAcK
Registry NumbersSources
Reaxys:1724814Reaxys
CAS:923-16-0KEGG COMPOUND
Citations