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CHEBI:77633 - isonocardicin A(2−)

ChEBI IDCHEBI:77633
ChEBI Nameisonocardicin A(2−)
Stars
ASCII Nameisonocardicin A(2-)
DefinitionAn oxime anion that is the major structure of isonocardicin A at pH 7.3.
Last Modified7 November 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC23H22N4O9
Net Charge-2
Average Mass498.448
Monoisotopic Mass498.13978
SMILES[NH3+][C@@H](CCOc1ccc(/C(=N/[O-])C(=O)N[C@H]2CN([C@@H](C(=O)[O-])c3ccc(O)cc3)C2=O)cc1)C(=O)[O-]
InChIInChI=1S/C23H24N4O9/c24-16(22(31)32)9-10-36-15-7-3-12(4-8-15)18(26-35)20(29)25-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-17,19,28,35H,9-11,24H2,(H,25,29)(H,31,32)(H,33,34)/p-2/b26-18-/t16-,17-,19+/m0/s1
InChIKeyCTNZOGJNVIFEBA-MOKAZRKYSA-L
ChEBI Ontology
Outgoing Relation(s)
isonocardicin A(2−) (CHEBI:77633) is a dicarboxylic acid dianion (CHEBI:28965)
isonocardicin A(2−) (CHEBI:77633) is a oxime anion (CHEBI:142513)
isonocardicin A(2−) (CHEBI:77633) is conjugate base of isonocardicin A(1−) (CHEBI:57788)
Incoming Relation(s)
isonocardicin A(1−) (CHEBI:57788) is conjugate acid of isonocardicin A(2−) (CHEBI:77633)
IUPAC Name 
(2S)-2-ammonio-4-{4-[(1Z)-2-({(3S)-1-[(R)-carboxylato(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-N-oxido-2-oxoethanimidoyl]phenoxy}butanoate
UniProt Name  Source
isonocardicin AUniProt