cefonicid (CHEBI:3491)

CHEBI:3491 - cefonicid

ChEBI ID	CHEBI:3491
ChEBI Name	cefonicid
Stars
Definition	A cephalosporin bearing {[1-(sulfomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl and (R)-2-hydroxy-2-phenylacetamido groups at positions 3 and 7, respectively, of the cephem skeleton.
Last Modified	13 February 2018
Downloads	Molfile

Formula	C18H18N6O8S3
Net Charge	0
Average Mass	542.577
Monoisotopic Mass	542.03482
SMILES	[H][C@]12SCC(CSc3nnnn3CS(=O)(=O)O)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)[C@H](O)c1ccccc1
InChI	InChI=1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1
InChIKey	DYAIAHUQIPBDIP-AXAPSJFSSA-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)
	cefonicid (CHEBI:3491) has role antibacterial drug (CHEBI:36047)
	cefonicid (CHEBI:3491) is a cephalosporin (CHEBI:23066)
	cefonicid (CHEBI:3491) is conjugate acid of cefonicid(2−) (CHEBI:52441)
Incoming Relation(s)
	cefonicid(2−) (CHEBI:52441) is conjugate base of cefonicid (CHEBI:3491)

IUPAC Name
6β-[(2R)-2-hydroxy-2-phenylacetamido]-3-({[1-(sulfomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)ceph-3-em-4-carboxylic acid

Synonyms	Source
Cefonicid	KEGG COMPOUND
(6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-8-oxo-3-({[1-(sulfomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid	IUPAC

Registry Numbers	Sources
Reaxys:8175049	Reaxys
CAS:61270-58-4	ChemIDplus

Citations