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CHEBI:3490 - cefmetazole sodium

ChEBI IDCHEBI:3490
ChEBI Namecefmetazole sodium
Stars
DefinitionAn organic sodium salt that is the sodium salt of cefmetazole.
Last Modified18 August 2014
DownloadsMolfile
FormulaC15H16N7O5S3.Na
Net Charge0
Average Mass493.528
Monoisotopic Mass493.02727
SMILES[H][C@]12SCC(CSc3nnnn3C)=C(C(=O)[O-])N1C(=O)[C@]2(NC(=O)CSCC#N)OC.[Na+]
InChIInChI=1S/C15H17N7O5S3.Na/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25;/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25);/q;+1/p-1/t13-,15+;/m1./s1
InChIKeyBITQGIOJQWZUPL-PBCQUBLHSA-M
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
cefmetazole sodium (CHEBI:3490) has part cefmetazole(1−) (CHEBI:52439)
cefmetazole sodium (CHEBI:3490) has role antimicrobial agent (CHEBI:33281)
cefmetazole sodium (CHEBI:3490) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium 6β-{[(cyanomethyl)sulfanyl]acetamido}-6α-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylate
Synonyms  Source
Cefmetazole sodiumKEGG COMPOUND
CMZKEGG DRUG
CMZ sodiumChemIDplus
CefmetazonChemIDplus
CS 1170 sodiumChemIDplus
SKF 83088 sodiumChemIDplus
Manual XrefsDatabases
C08104KEGG COMPOUND
D00911KEGG DRUG
Registry NumbersSources
Reaxys:5403925Reaxys
CAS:56796-39-5KEGG COMPOUND
CAS:56796-39-5ChemIDplus
Citations