CHEBI:77658 - nocardicin A(2−)

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ChEBI Name nocardicin A(2−)
ChEBI ID CHEBI:77658
ChEBI ASCII Name nocardicin A(2-)
Definition A dicarboxylic acid dianion that is the major structure of isonocardicin A at pH 7.3 (according to Marvin v 6.2.0.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C23H22N4O9
Net Charge -2
Average Mass 498.44330
Monoisotopic Mass 498.13978
InChI InChI=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-/m1/s1
InChIKey CTNZOGJNVIFEBA-UPSUJEDGSA-L
SMILES [NH3+][C@H](CCOc1ccc(cc1)C(=N\[O-])\C(=O)N[C@H]1CN([C@@H](C([O-])=O)c2ccc(O)cc2)C1=O)C([O-])=O
ChEBI Ontology
Outgoing nocardicin A(2−) (CHEBI:77658) is a dicarboxylic acid dianion (CHEBI:28965)
nocardicin A(2−) (CHEBI:77658) is conjugate base of nocardicin A (CHEBI:17711)
nocardicin A(2−) (CHEBI:77658) is conjugate base of nocardicin A(1−) (CHEBI:58244)
Incoming nocardicin A (CHEBI:17711) is conjugate acid of nocardicin A(2−) (CHEBI:77658)
nocardicin A(1−) (CHEBI:58244) is conjugate acid of nocardicin A(2−) (CHEBI:77658)
IUPAC Name
(2R)-2-azaniumyl-4-{4-[(1Z)-2-({(3S)-1-[(R)-carboxylato(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-N-oxido-2-oxoethanimidoyl]phenoxy}butanoate
Synonym Source
nocardicin A UniProt
Last Modified
17 April 2014