CHEBI:29091 - nocardicin E

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name nocardicin E
ChEBI ID CHEBI:29091
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14663, CHEBI:25571
Supplier Information
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Formula C19H17N3O7
Net Charge 0
Average Mass 399.35430
Monoisotopic Mass 399.10665
InChI InChI=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
InChIKey NMMOYDKOFASOBV-HKHZIIAMSA-N
SMILES O\N=C(/C(=O)N[C@H]1CN([C@@H](C(O)=O)c2ccc(O)cc2)C1=O)c1ccc(O)cc1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via heterocyclic antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Xref Database
C01739 KEGG COMPOUND
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Registry Numbers Types Sources
3598528 Beilstein Registry Number Beilstein
63555-59-9 CAS Registry Number ChemIDplus
Last Modified
28 July 2014