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CHEBI:58445 - anserine zwitterion

ChEBI IDCHEBI:58445
ChEBI Nameanserine zwitterion
Stars
DefinitionZwitterionic form of anserine.
Last Modified18 February 2015
DownloadsMolfile
FormulaC10H16N4O3
Net Charge0
Average Mass240.263
Monoisotopic Mass240.12224
SMILESCn1cncc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-]
InChIInChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
InChIKeyMYYIAHXIVFADCU-QMMMGPOBSA-N
Roles Classification
Biological Role:
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
anserine zwitterion (CHEBI:58445) has role animal metabolite (CHEBI:75767)
anserine zwitterion (CHEBI:58445) is a zwitterion (CHEBI:27369)
anserine zwitterion (CHEBI:58445) is tautomer of anserine (CHEBI:18323)
Incoming Relation(s)
anserine (CHEBI:18323) is tautomer of anserine zwitterion (CHEBI:58445)
IUPAC Name 
(2S)-2-[(3-ammoniopropanoyl)amino]-3-(1-methyl-1H-imidazol-5-yl)propanoate
UniProt Name  Source
anserineUniProt
Manual XrefsDatabases
CPD-401MetaCyc