CHEBI:57285 - agaritine zwitterion

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ChEBI Name agaritine zwitterion
ChEBI ID CHEBI:57285
Definition Zwitterionic form of agaritine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H17N3O4
Net Charge 0
Average Mass 267.28110
Monoisotopic Mass 267.122
InChI InChI=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
InChIKey SRSPQXBFDCGXIZ-JTQLQIEISA-N
SMILES [NH3+][C@@H](CCC(=O)NNc1ccc(CO)cc1)C([O-])=O
ChEBI Ontology
Outgoing agaritine zwitterion (CHEBI:57285) is a amino acid zwitterion (CHEBI:35238)
agaritine zwitterion (CHEBI:57285) is tautomer of agaritine (CHEBI:15336)
Incoming agaritine (CHEBI:15336) is tautomer of agaritine zwitterion (CHEBI:57285)
IUPAC Name
(2S)-2-azaniumyl-5-{2-[4-(hydroxymethyl)phenyl]hydrazino}-5-oxopentanoate
Synonym Source
agaritine UniProt
Last Modified
22 June 2018