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CHEBI:57788 - isonocardicin A(1−)

ChEBI IDCHEBI:57788
ChEBI Nameisonocardicin A(1−)
Stars
ASCII Nameisonocardicin A(1-)
DefinitionConjugate base of isonocardicin A zwitterion where both carboxy groups are deprotonated while the homoserine amino group is protonated.
Last Modified7 November 2018
DownloadsMolfile
FormulaC23H23N4O9
Net Charge-1
Average Mass499.456
Monoisotopic Mass499.14705
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-1/b26-18-/t16-,17-,19+/m0/s1
InChIKeyCTNZOGJNVIFEBA-MOKAZRKYSA-M
ChEBI Ontology
Outgoing Relation(s)
isonocardicin A(1−) (CHEBI:57788) is a dicarboxylic acid anion (CHEBI:35693)
isonocardicin A(1−) (CHEBI:57788) is conjugate acid of isonocardicin A(2−) (CHEBI:77633)
isonocardicin A(1−) (CHEBI:57788) is conjugate base of isonocardicin A zwitterion (CHEBI:142510)
Incoming Relation(s)
isonocardicin A zwitterion (CHEBI:142510) is conjugate acid of isonocardicin A(1−) (CHEBI:57788)
isonocardicin A(2−) (CHEBI:77633) is conjugate base of isonocardicin A(1−) (CHEBI:57788)
IUPAC Name 
(2S)-2-ammonio-4-{4-[(1Z)-2-({(3S)-1-[(R)-carboxylato(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-N-hydroxy-2-oxoethanimidoyl]phenoxy}butanoate
Synonym  Source
isonocardicin A anionChEBI
Manual XrefsDatabases
ISONOCARDICIN-AMetaCyc