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CHEBI:87744 - (S)-warfarin(1−)

ChEBI IDCHEBI:87744
ChEBI Name(S)-warfarin(1−)
Stars
ASCII Name(S)-warfarin(1-)
DefinitionAn organic anion that is the conjugate base of (S)-warfarin, obtained by deprotonation of the hydroxy group.
Last Modified6 September 2022
SubmitterSteve
DownloadsMolfile
FormulaC19H15O4
Net Charge-1
Average Mass307.325
Monoisotopic Mass307.09758
SMILESCC(=O)C[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O
InChIInChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/p-1/t15-/m0/s1
InChIKeyPJVWKTKQMONHTI-HNNXBMFYSA-M
ChEBI Ontology
Outgoing Relation(s)
(S)-warfarin(1−) (CHEBI:87744) is a organic anion (CHEBI:25696)
(S)-warfarin(1−) (CHEBI:87744) is conjugate base of (S)-warfarin (CHEBI:87738)
(S)-warfarin(1−) (CHEBI:87744) is enantiomer of (R)-warfarin(1−) (CHEBI:87743)
Incoming Relation(s)
(S)-warfarin potassium (CHEBI:87742) has part (S)-warfarin(1−) (CHEBI:87744)
(S)-warfarin sodium (CHEBI:87740) has part (S)-warfarin(1−) (CHEBI:87744)
warfarin(1−) (CHEBI:50393) has part (S)-warfarin(1−) (CHEBI:87744)
(S)-warfarin (CHEBI:87738) is conjugate acid of (S)-warfarin(1−) (CHEBI:87744)
(R)-warfarin(1−) (CHEBI:87743) is enantiomer of (S)-warfarin(1−) (CHEBI:87744)
IUPAC Name 
2-oxo-3-[(1S)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-4-olate
UniProt Name  Source
(S)-warfarinUniProt