EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:185443 - 7-{[1-hydroxy-2-(pyridin-4-ylsulfanyl)ethylidene]amino}-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

ChEBI IDCHEBI:185443
ChEBI Name7-{[1-hydroxy-2-(pyridin-4-ylsulfanyl)ethylidene]amino}-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H15N3O5S2
Net Charge0
Average Mass381.435
Monoisotopic Mass381.04531
SMILESO=C(CSc1ccncc1)NC1C(=O)N2C(C(=O)O)=C(CO)CSC12
InChIInChI=1S/C15H15N3O5S2/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9/h1-4,11,14,19H,5-7H2,(H,17,20)(H,22,23)
InChIKeyIOFHZPVEQXTSQW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Biological Roles:
drug allergen  Any drug which causes the onset of an allergic reaction.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:
drug allergen  Any drug which causes the onset of an allergic reaction.
ChEBI Ontology
Outgoing Relation(s)
7-{[1-hydroxy-2-(pyridin-4-ylsulfanyl)ethylidene]amino}-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CHEBI:185443) is a cephalosporin (CHEBI:23066)
IUPAC Name 
3-(hydroxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Manual XrefsDatabases
HMDB0037269HMDB
19989384ChemSpider