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CHEBI:59217 - cephapirin(1−)

ChEBI IDCHEBI:59217
ChEBI Namecephapirin(1−)
Stars
ASCII Namecephapirin(1-)
DefinitionThe anion of cephapirin obtained by removal of a proton form the carboxylic acid group.
Last Modified4 May 2010
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H16N3O6S2
Net Charge-1
Average Mass422.464
Monoisotopic Mass422.04860
SMILES[H][C@]12SCC(COC(C)=O)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)CSc1ccncc1
InChIInChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/p-1/t13-,16-/m1/s1
InChIKeyUQLLWWBDSUHNEB-CZUORRHYSA-M
ChEBI Ontology
Outgoing Relation(s)
cephapirin(1−) (CHEBI:59217) is a cephalosporin carboxylic acid anion (CHEBI:52440)
cephapirin(1−) (CHEBI:59217) is conjugate base of cephapirin (CHEBI:554446)
Incoming Relation(s)
cephapirin sodium (CHEBI:3545) has part cephapirin(1−) (CHEBI:59217)
cephapirin (CHEBI:554446) is conjugate acid of cephapirin(1−) (CHEBI:59217)
IUPAC Name 
(6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-{[(pyridin-4-ylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Synonyms  Source
cephapirin anionChEBI
(6R,7R)-3-(hydroxymethyl)-8-oxo-7-(2-(4-pyridylthio)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate acetateChEBI
7-(pyrid-4-ylthioacetamido)cephalosporanateChEBI
Registry NumbersSources
Beilstein:4894074Beilstein