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CHEBI:57511 - cephalosporin C(1−)

ChEBI IDCHEBI:57511
ChEBI Namecephalosporin C(1−)
Stars
ASCII Namecephalosporin C(1-)
DefinitionConjugate base of cephalosporin C.
Last Modified9 April 2015
DownloadsMolfile
FormulaC16H20N3O8S
Net Charge-1
Average Mass414.416
Monoisotopic Mass414.09766
SMILES[H][C@]12SCC(COC(C)=O)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)CCC[C@@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/p-1/t9-,11-,14-/m1/s1
InChIKeyHOKIDJSKDBPKTQ-GLXFQSAKSA-M
ChEBI Ontology
Outgoing Relation(s)
cephalosporin C(1−) (CHEBI:57511) is a cephalosporin carboxylic acid anion (CHEBI:52440)
cephalosporin C(1−) (CHEBI:57511) is conjugate base of cephalosporin C (CHEBI:15776)
Incoming Relation(s)
cephalosporin C (CHEBI:15776) is conjugate acid of cephalosporin C(1−) (CHEBI:57511)
IUPAC Name 
(6R,7R)-3-[(acetyloxy)methyl]-7-{[(5R)-5-azaniumyl-5-carboxylatopentanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Synonym  Source
cephalosporin C anionChEBI
UniProt Name  Source
cephalosporin CUniProt