CHEBI:58415 - deacetoxycephalosporin C(1−)

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ChEBI Name deacetoxycephalosporin C(1−)
ChEBI ID CHEBI:58415
ChEBI ASCII Name deacetoxycephalosporin C(1-)
Definition Conjugate base of deacetoxycephalosporin C
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H18N3O6S
Net Charge -1
Average Mass 356.37400
Monoisotopic Mass 356.09218
InChI InChI=1S/C14H19N3O6S/c1-6-5-24-12-9(11(19)17(12)10(6)14(22)23)16-8(18)4-2-3-7(15)13(20)21/h7,9,12H,2-5,15H2,1H3,(H,16,18)(H,20,21)(H,22,23)/p-1/t7-,9-,12-/m1/s1
InChIKey NNQIJOYQWYKBOW-JWKOBGCHSA-M
SMILES [H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)CCC[C@@H]([NH3+])C([O-])=O)C([O-])=O
ChEBI Ontology
Outgoing deacetoxycephalosporin C(1−) (CHEBI:58415) is a cephalosporin carboxylic acid anion (CHEBI:52440)
deacetoxycephalosporin C(1−) (CHEBI:58415) is conjugate base of deacetoxycephalosporin C (CHEBI:18229)
Incoming deacetoxycephalosporin C (CHEBI:18229) is conjugate acid of deacetoxycephalosporin C(1−) (CHEBI:58415)
IUPAC Name
7β-{[(5R)-5-ammonio-5-carboxylatopentanoyl]amino}-3-methyl-3,4-didehydrocepham-4-carboxylate
Synonyms Sources
(6R,7R)-7-{[(5R)-5-ammonio-5-carboxylatopentanoyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC
deacetoxycephalosporin C UniProt
Last Modified
13 April 2015