CHEBI:52439 - cefmetazole(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cefmetazole(1−)
ChEBI ID CHEBI:52439
ChEBI ASCII Name cefmetazole(1-)
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H16N7O5S3
Net Charge -1
Average Mass 470.52600
Monoisotopic Mass 470.03805
InChI InChI=1S/C15H17N7O5S3/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)/p-1/t13-,15+/m1/s1
InChIKey SNBUBQHDYVFSQF-HIFRSBDPSA-M
SMILES [H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@]2(NC(=O)CSCC#N)OC)C([O-])=O
ChEBI Ontology
Outgoing cefmetazole(1−) (CHEBI:52439) is a cephalosporin carboxylic acid anion (CHEBI:52440)
cefmetazole(1−) (CHEBI:52439) is conjugate base of cefmetazole (CHEBI:3489)
Incoming cefmetazole sodium (CHEBI:3490) has part cefmetazole(1−) (CHEBI:52439)
cefmetazole (CHEBI:3489) is conjugate acid of cefmetazole(1−) (CHEBI:52439)
IUPAC Name
7β-{[(cyanomethyl)sulfanyl]acetamido}-7α-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylate
Synonym Source
(6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC
Registry Number Type Source
5406422 Beilstein Registry Number Beilstein
Last Modified
13 March 2018