CHEBI:94784 - (6R,7S)-3-(acetyloxymethyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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ChEBI Name (6R,7S)-3-(acetyloxymethyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
ChEBI ID CHEBI:94784
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H16N2O6S2
Net Charge 0
Average Mass 396.441
Monoisotopic Mass 396.04498
InChI InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15+/m0/s1
InChIKey XIURVHNZVLADCM-SWLSCSKDSA-N
SMILES CC(=O)OCC1=C(N2[C@@H]([C@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O
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 )
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ChEBI Ontology
Outgoing (6R,7S)-3-(acetyloxymethyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CHEBI:94784) is a cephalosporin (CHEBI:23066)
Manual Xref Database
LSM-5929 LINCS
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