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CHEBI:3501 - Cefoxitin sodium

Default Structure
ChEBI IDCHEBI:3501
ChEBI NameCefoxitin sodium
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H16N3O7S2.Na
Net Charge0
Average Mass449.442
Monoisotopic Mass449.03274
SMILES[H][C@]12SCC(COC(N)=O)=C(C(=O)[O-])N1C(=O)[C@]2(NC(=O)Cc1cccs1)OC.[Na+]
InChIInChI=1S/C16H17N3O7S2.Na/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19;/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22);/q;+1/p-1/t14-,16+;/m1./s1
InChIKeyGNWUOVJNSFPWDD-XMZRARIVSA-M
ChEBI Ontology
Outgoing Relation(s)
Cefoxitin sodium (CHEBI:3501) is a organic molecular entity (CHEBI:50860)
Synonym  Source
Cefoxitin sodiumKEGG COMPOUND
Manual XrefsDatabases
C08106KEGG COMPOUND
D00913KEGG DRUG
Registry NumbersSources
CAS:33564-30-6KEGG COMPOUND