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CHEBI:172654 - Desacetylcefotaxime

ChEBI IDCHEBI:172654
ChEBI NameDesacetylcefotaxime
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H15N5O6S2
Net Charge0
Average Mass413.437
Monoisotopic Mass413.04638
SMILES[H][C@]12SCC(CO)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)/C(=N/OC)c1csc(N)n1
InChIInChI=1S/C14H15N5O6S2/c1-25-18-7(6-4-27-14(15)16-6)10(21)17-8-11(22)19-9(13(23)24)5(2-20)3-26-12(8)19/h4,8,12,20H,2-3H2,1H3,(H2,15,16)(H,17,21)(H,23,24)/b18-7+/t8-,12-/m1/s1
InChIKeyFHYWAOQGXIZAAF-RWFJUVPESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
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)
Desacetylcefotaxime (CHEBI:172654) is a cephalosporin (CHEBI:23066)
IUPAC Name 
(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Manual XrefsDatabases
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