EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:85194 - ceftolozane sulfate

Default Structure
ChEBI IDCHEBI:85194
ChEBI Nameceftolozane sulfate
Stars
Last Modified11 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC23H31N12O8S2.HO4S
Net Charge0
Average Mass764.782
Monoisotopic Mass764.14248
SMILESO=S(=O)([O-])O.[H][C@]12SCC(C[n+]3cc(NC(=O)NCCN)c(N)n3C)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)/C(=N\OC(C)(C)C(=O)O)c1nsc(N)n1
InChIInChI=1S/C23H30N12O8S2.H2O4S/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24;1-5(2,3)4/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42);(H2,1,2,3,4)/b31-11-;/t12-,18-;/m1./s1
InChIKeyUJDQGRLTPBVSFN-TVNHLQOTSA-N
ChEBI Ontology
Outgoing Relation(s)
ceftolozane sulfate (CHEBI:85194) is a unclassifieds (CHEBI:27189)
Manual XrefsDatabases
D10098KEGG DRUG
Registry NumbersSources
Reaxys:11305732Reaxys
CAS:936111-69-2KEGG DRUG
CAS:936111-69-2ChemIDplus