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CHEBI:29091 - nocardicin E

ChEBI IDCHEBI:29091
ChEBI Namenocardicin E
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Secondary ChEBI IDsCHEBI:14663, CHEBI:25571
Last Modified28 July 2014
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FormulaC19H17N3O7
Net Charge0
Average Mass399.359
Monoisotopic Mass399.10665
SMILESO=C(N[C@H]1CN([C@@H](C(=O)O)c2ccc(O)cc2)C1=O)/C(=N\O)c1ccc(O)cc1
InChIInChI=1S/C19H17N3O7/c23-12-5-1-10(2-6-12)15(21-29)17(25)20-14-9-22(18(14)26)16(19(27)28)11-3-7-13(24)8-4-11/h1-8,14,16,23-24,29H,9H2,(H,20,25)(H,27,28)/b21-15-/t14-,16+/m0/s1
InChIKeyNMMOYDKOFASOBV-HKHZIIAMSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
nocardicin E (CHEBI:29091) is a monocarboxylic acid (CHEBI:25384)
nocardicin E (CHEBI:29091) is a nocardicin (CHEBI:25572)
nocardicin E (CHEBI:29091) is conjugate acid of nocardicin E(1−) (CHEBI:58610)
Incoming Relation(s)
nocardicin E(1−) (CHEBI:58610) is conjugate base of nocardicin E (CHEBI:29091)
IUPAC Name 
(2R)-{(3S)-3-[(2Z)-2-(hydroxyimino)-2-(4-hydroxyphenyl)acetamido]-2-oxoazetidin-1-yl}(4-hydroxyphenyl)acetic acid
Manual XrefsDatabases
C01739KEGG COMPOUND
Registry NumbersSources
Beilstein:3598528Beilstein
CAS:63555-59-9ChemIDplus
CAS:63555-59-9KEGG COMPOUND