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CHEBI:53652 - cefamandole(1−)

ChEBI IDCHEBI:53652
ChEBI Namecefamandole(1−)
Stars
ASCII Namecefamandole(1-)
DefinitionA cephalosporin carboxylate anion having (R)-mandelamido and N-methylthiotetrazole side-groups.
Last Modified19 May 2014
SubmitterSteve
DownloadsMolfile
FormulaC18H17N6O5S2
Net Charge-1
Average Mass461.505
Monoisotopic Mass461.07073
SMILES[H][C@]12SCC(CSc3nnnn3C)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)[C@H](O)c1ccccc1
InChIInChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/p-1/t11-,13-,16-/m1/s1
InChIKeyOLVCFLKTBJRLHI-AXAPSJFSSA-M
ChEBI Ontology
Outgoing Relation(s)
cefamandole(1−) (CHEBI:53652) is a cephalosporin carboxylic acid anion (CHEBI:52440)
cefamandole(1−) (CHEBI:53652) is conjugate base of cefamandole (CHEBI:3480)
Incoming Relation(s)
cefamandole sodium (CHEBI:34614) has part cefamandole(1−) (CHEBI:53652)
cefamandole (CHEBI:3480) is conjugate acid of cefamandole(1−) (CHEBI:53652)
IUPAC Name 
7β-[(2R)-2-hydroxy-2-phenylacetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylate
Synonym  Source
(6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateIUPAC
Registry NumbersSources
Beilstein:4896877Beilstein