cefmetazole (CHEBI:3489)

CHEBI:3489 - cefmetazole

ChEBI ID	CHEBI:3489
ChEBI Name	cefmetazole
Stars
Definition	A second-generation cephalosporin antibiotic having N¹-methyltetrazol-5-ylthiomethyl, {[(cyanomethyl)sulfanyl]acetyl}amino and methoxy side-groups at positions 3, 7β and 7α respectively of the parent cephem bicyclic structure.
Last Modified	13 March 2018
Downloads	Molfile

Formula	C15H17N7O5S3
Net Charge	0
Average Mass	471.546
Monoisotopic Mass	471.04533
SMILES	[H][C@]12SCC(CSc3nnnn3C)=C(C(=O)O)N1C(=O)[C@]2(NC(=O)CSCC#N)OC
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)/t13-,15+/m1/s1
InChIKey	SNBUBQHDYVFSQF-HIFRSBDPSA-N

Wikipedia

Roles Classification

antibacterial drug A drug used to treat or prevent bacterial infections.

drug allergen Any drug which causes the onset of an allergic reaction.

antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

antibacterial drug A drug used to treat or prevent bacterial infections.

drug allergen Any drug which causes the onset of an allergic reaction.

ChEBI Ontology

Outgoing Relation(s)
	cefmetazole (CHEBI:3489) has role antibacterial drug (CHEBI:36047)
	cefmetazole (CHEBI:3489) is a cephalosporin (CHEBI:23066)
	cefmetazole (CHEBI:3489) is conjugate acid of cefmetazole(1−) (CHEBI:52439)
Incoming Relation(s)
	cefmetazole(1−) (CHEBI:52439) is conjugate base of cefmetazole (CHEBI:3489)

IUPAC Name
7β-{[(cyanomethyl)sulfanyl]acetamido}-7α-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylic acid

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-carboxylic acid	IUPAC

Citations