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CHEBI:760955 - 2-{(3Z)-1-[(1S)-1-(2-chlorophenyl)-2-oxido-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene}acetate

Default Structure
ChEBI IDCHEBI:760955
ChEBI Name2-{(3Z)-1-[(1S)-1-(2-chlorophenyl)-2-oxido-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene}acetate
Stars
Last Modified27 September 2026
Submitterabridge
DownloadsMolfile
FormulaC15H15ClNO4S
Net Charge-1
Average Mass340.808
Monoisotopic Mass340.04158
SMILESO=C([O-])/C=C1/C[NH+]([C@H](C(=O)[O-])c2ccccc2Cl)CCC1S
InChIInChI=1S/C15H16ClNO4S/c16-11-4-2-1-3-10(11)14(15(20)21)17-6-5-12(22)9(8-17)7-13(18)19/h1-4,7,12,14,22H,5-6,8H2,(H,18,19)(H,20,21)/p-1/b9-7-/t12?,14-/m0/s1
InChIKeyGZZDPOCSWMTUJU-QRCWSXIFSA-M
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-{(3Z)-1-[(1S)-1-(2-chlorophenyl)-2-oxido-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene}acetate (CHEBI:760955) is a dicarboxylic acid dianion (CHEBI:28965)
2-{(3Z)-1-[(1S)-1-(2-chlorophenyl)-2-oxido-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene}acetate (CHEBI:760955) is a monochlorobenzenes (CHEBI:83403)
2-{(3Z)-1-[(1S)-1-(2-chlorophenyl)-2-oxido-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene}acetate (CHEBI:760955) is a tertiary amino compound (CHEBI:50996)
2-{(3Z)-1-[(1S)-1-(2-chlorophenyl)-2-oxido-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene}acetate (CHEBI:760955) is a thiol (CHEBI:29256)
UniProt Name  Source
clopidogrel thiol carboxylate metaboliteUniProt