CHEBI:59217 - cephapirin(1−)

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ChEBI Name cephapirin(1−)
ChEBI ID CHEBI:59217
ChEBI ASCII Name cephapirin(1-)
Definition The anion of cephapirin obtained by removal of a proton form the carboxylic acid group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C17H16N3O6S2
Net Charge -1
Average Mass 422.45500
Monoisotopic Mass 422.04860
InChI InChI=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
InChIKey UQLLWWBDSUHNEB-CZUORRHYSA-M
SMILES [H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CSc1ccncc1)C([O-])=O
ChEBI Ontology
Outgoing cephapirin(1−) (CHEBI:59217) is a cephalosporin carboxylic acid anion (CHEBI:52440)
cephapirin(1−) (CHEBI:59217) is conjugate base of cephapirin (CHEBI:554446)
Incoming 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 Sources
(6R,7R)-3-(hydroxymethyl)-8-oxo-7-(2-(4-pyridylthio)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate acetate ChEBI
7-(pyrid-4-ylthioacetamido)cephalosporanate ChEBI
cephapirin anion ChEBI
Registry Number Type Source
4894074 Beilstein Registry Number Beilstein
Last Modified
04 May 2010