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CHEBI:142510 - isonocardicin A zwitterion

ChEBI IDCHEBI:142510
ChEBI Nameisonocardicin A zwitterion
Stars
DefinitionAn L-α-amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of isonocardicin A.
Last Modified7 November 2018
SubmitterAdnan
DownloadsMolfile
FormulaC23H24N4O9
Net Charge0
Average Mass500.464
Monoisotopic Mass500.15433
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)/b26-18-/t16-,17-,19+/m0/s1
InChIKeyCTNZOGJNVIFEBA-MOKAZRKYSA-N
ChEBI Ontology
Outgoing Relation(s)
isonocardicin A zwitterion (CHEBI:142510) is a L-α-amino acid zwitterion (CHEBI:59869)
isonocardicin A zwitterion (CHEBI:142510) is conjugate acid of isonocardicin A(1−) (CHEBI:57788)
isonocardicin A zwitterion (CHEBI:142510) is tautomer of isonocardicin A (CHEBI:16483)
Incoming Relation(s)
isonocardicin A(1−) (CHEBI:57788) is conjugate base of isonocardicin A zwitterion (CHEBI:142510)
isonocardicin A (CHEBI:16483) is tautomer of isonocardicin A zwitterion (CHEBI:142510)
IUPAC Name 
(2S)-2-ammonio-4-{4-[(1Z)-2-({(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-N-hydroxy-2-oxoethanimidoyl]phenoxy}butanoate