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CHEBI:57285 - agaritine zwitterion

ChEBI IDCHEBI:57285
ChEBI Nameagaritine zwitterion
Stars
DefinitionZwitterionic form of agaritine.
Last Modified17 September 2019
DownloadsMolfile
FormulaC12H17N3O4
Net Charge0
Average Mass267.285
Monoisotopic Mass267.12191
SMILES[NH3+][C@@H](CCC(=O)NNc1ccc(CO)cc1)C(=O)[O-]
InChIInChI=1S/C12H17N3O4/c13-10(12(18)19)5-6-11(17)15-14-9-3-1-8(7-16)2-4-9/h1-4,10,14,16H,5-7,13H2,(H,15,17)(H,18,19)/t10-/m0/s1
InChIKeySRSPQXBFDCGXIZ-JTQLQIEISA-N
ChEBI Ontology
Outgoing Relation(s)
agaritine zwitterion (CHEBI:57285) is a amino-acid zwitterion (CHEBI:35238)
agaritine zwitterion (CHEBI:57285) is tautomer of agaritine (CHEBI:15336)
Incoming Relation(s)
agaritine (CHEBI:15336) is tautomer of agaritine zwitterion (CHEBI:57285)
IUPAC Name 
(2S)-2-azaniumyl-5-{2-[4-(hydroxymethyl)phenyl]hydrazino}-5-oxopentanoate