CHEBI:95194 - (6R)-7-[(2-amino-1-oxo-2-phenylethyl)amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6R)-7-[(2-amino-1-oxo-2-phenylethyl)amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
ChEBI ID CHEBI:95194
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H14ClN3O4S
Net Charge 0
Average Mass 367.809
Monoisotopic Mass 367.03935
InChI InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9?,10?,14-/m1/s1
InChIKey QYIYFLOTGYLRGG-RPFQZYLTSA-N
SMILES C1C(=C(N2[C@H](S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl
Roles Classification
Biological Role(s): drug allergen
Any drug which causes the onset of an allergic reaction.
(via cephalosporin )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via heterocyclic antibiotic )
Application(s): drug allergen
Any drug which causes the onset of an allergic reaction.
(via cephalosporin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (6R)-7-[(2-amino-1-oxo-2-phenylethyl)amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CHEBI:95194) is a cephalosporin (CHEBI:23066)
Manual Xref Database
LSM-6481 LINCS
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