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CHEBI:57822 - D-alanyl-D-alanine zwitterion

Default Structure
ChEBI IDCHEBI:57822
ChEBI NameD-alanyl-D-alanine zwitterion
Stars
ASCII NameD-alanyl-D-alanine zwitterion
DefinitionA dipeptide zwitterion that is the zwitterionic form of D-alanyl-D-alanine arising from migration of a proton from the OH of the carboxy terminus to the amino terminus.
Last Modified5 July 2017
DownloadsMolfile
FormulaC6H12N2O3
Net Charge0
Average Mass160.173
Monoisotopic Mass160.08479
SMILESC[C@@H]([NH3+])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
Roles Classification
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 zwitterion (CHEBI:57822) has role Escherichia coli metabolite (CHEBI:76971)
D-alanyl-D-alanine zwitterion (CHEBI:57822) is a dipeptide zwitterion (CHEBI:90799)
D-alanyl-D-alanine zwitterion (CHEBI:57822) is tautomer of D-alanyl-D-alanine (CHEBI:16576)
Incoming Relation(s)
D-alanyl-D-alanine (CHEBI:16576) is tautomer of D-alanyl-D-alanine zwitterion (CHEBI:57822)
IUPAC Name 
(2R)-2-{[(2R)-2-ammoniopropanoyl]amino}propanoate
UniProt Name  Source
D-alanyl-D-alanineUniProt