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CHEBI:73088 - O-formylcefamandole(1−)

ChEBI IDCHEBI:73088
ChEBI NameO-formylcefamandole(1−)
Stars
ASCII NameO-formylcefamandole(1-)
DefinitionA monocarboxylic acid anion resulting from the deprotonation of the carboxy group of O-formylcefamandole.
Last Modified3 April 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H17N6O6S2
Net Charge-1
Average Mass489.515
Monoisotopic Mass489.06565
SMILES[H]C(=O)O[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@]12[H])c1ccccc1
InChIInChI=1S/C19H18N6O6S2/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30)/p-1/t12-,14-,17-/m1/s1
InChIKeyRRJHESVQVSRQEX-SUYBPPKGSA-M
ChEBI Ontology
Outgoing Relation(s)
O-formylcefamandole(1−) (CHEBI:73088) is a monocarboxylic acid anion (CHEBI:35757)
O-formylcefamandole(1−) (CHEBI:73088) is conjugate base of O-formylcefamandole (CHEBI:53654)
Incoming Relation(s)
cefamandole nafate (CHEBI:3481) has part O-formylcefamandole(1−) (CHEBI:73088)
O-formylcefamandole (CHEBI:53654) is conjugate acid of O-formylcefamandole(1−) (CHEBI:73088)
IUPAC Name 
7β-[(2R)-2-(formyloxy)-2-phenylacetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylate