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CHEBI:58415 - deacetoxycephalosporin C(1−)

ChEBI IDCHEBI:58415
ChEBI Namedeacetoxycephalosporin C(1−)
Stars
ASCII Namedeacetoxycephalosporin C(1-)
DefinitionConjugate base of deacetoxycephalosporin C
Last Modified13 April 2015
DownloadsMolfile
FormulaC14H18N3O6S
Net Charge-1
Average Mass356.380
Monoisotopic Mass356.09218
SMILES[H][C@]12SCC(C)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)CCC[C@@H]([NH3+])C(=O)[O-]
InChIInChI=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
InChIKeyNNQIJOYQWYKBOW-JWKOBGCHSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
Synonym  Source
(6R,7R)-7-{[(5R)-5-ammonio-5-carboxylatopentanoyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateIUPAC
UniProt Name  Source
deacetoxycephalosporin CUniProt