EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:31364 - Cefacetrile sodium

Default Structure
ChEBI IDCHEBI:31364
ChEBI NameCefacetrile sodium
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC13H12N3O6S.Na
Net Charge0
Average Mass361.311
Monoisotopic Mass361.03445
SMILES[H][C@]12SCC(COC(C)=O)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)CC#N.[Na+]
InChIInChI=1S/C13H13N3O6S.Na/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21;/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21);/q;+1/p-1/t9-,12-;/m1./s1
InChIKeyGXCRUTWHNMMJEK-WYUVZMMLSA-M
ChEBI Ontology
Outgoing Relation(s)
Cefacetrile sodium (CHEBI:31364) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
Cefacetrile sodiumKEGG COMPOUND
Cephacetrile sodiumKEGG COMPOUND
Manual XrefsDatabases
C12691KEGG COMPOUND
D01262KEGG DRUG
Registry NumbersSources
CAS:23239-41-0KEGG COMPOUND