CHEBI:57511 - cephalosporin C(1−)

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ChEBI Name cephalosporin C(1−)
ChEBI ID CHEBI:57511
ChEBI ASCII Name cephalosporin C(1-)
Definition Conjugate base of cephalosporin C.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H20N3O8S
Net Charge -1
Average Mass 414.41000
Monoisotopic Mass 414.09766
InChI InChI=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
InChIKey HOKIDJSKDBPKTQ-GLXFQSAKSA-M
SMILES [H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CCC[C@@H]([NH3+])C([O-])=O)C([O-])=O
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
cephalosporin C UniProt
cephalosporin C anion ChEBI
Last Modified
09 April 2015