cefsulodin (CHEBI:3507)

CHEBI:3507 - cefsulodin

ChEBI ID	CHEBI:3507
ChEBI Name	cefsulodin
Stars
Definition	A pyridinium-substituted semi-synthetic, broad-spectrum, cephalosporin antibiotic.
Last Modified	5 March 2018
Downloads	Molfile

Formula	C22H20N4O8S2
Net Charge	0
Average Mass	532.556
Monoisotopic Mass	532.07226
SMILES	[H][C@]12SCC(C[n+]3ccc(C(N)=O)cc3)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)[C@@H](c1ccccc1)S(=O)(=O)O
InChI	InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/t15-,17-,21-/m1/s1
InChIKey	SYLKGLMBLAAGSC-QLVMHMETSA-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)
	cefsulodin (CHEBI:3507) has role antibacterial drug (CHEBI:36047)
	cefsulodin (CHEBI:3507) is a cephalosporin (CHEBI:23066)
	cefsulodin (CHEBI:3507) is a organosulfonic acid (CHEBI:33551)
	cefsulodin (CHEBI:3507) is a primary carboxamide (CHEBI:140324)

IUPAC Names
(6R,7R)-3-[(4-carbamoylpyridinium-1-yl)methyl]-8-oxo-7-{[(2R)-2-phenyl-2-sulfoacetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
7β-{[(2R)-2-phenyl-2-sulfoacetyl]amino}-3-(4-carbamoylpyridinium-1-yl)methyl-3,4-didehydrocepham-4-carboxylate

Synonym	Source
Cefsulodin	KEGG COMPOUND

Registry Numbers	Sources
CAS:62587-73-9	KEGG COMPOUND
CAS:62587-73-9	ChemIDplus

Citations