CHEBI:3501 - Cefoxitin sodium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Cefoxitin sodium
ChEBI ID CHEBI:3501
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H16N3O7S2.Na
Net Charge 0
Average Mass 449.437
Monoisotopic Mass 449.03274
InChI InChI=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
InChIKey GNWUOVJNSFPWDD-XMZRARIVSA-M
SMILES [Na+].CO[C@]1(NC(=O)Cc2cccs2)[C@H]2SCC(COC(N)=O)=C(N2C1=O)C([O-])=O
ChEBI Ontology
Outgoing Cefoxitin sodium (CHEBI:3501) is a organic molecular entity (CHEBI:50860)
Synonym Source
Cefoxitin sodium KEGG COMPOUND
Manual Xrefs Databases
C08106 KEGG COMPOUND
D00913 KEGG DRUG
View more database links
Registry Number Type Source
33564-30-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014