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CHEBI:83777 - 3-oxo-23,24-bisnorchol-4-en-22-oate

ChEBI IDCHEBI:83777
ChEBI Name3-oxo-23,24-bisnorchol-4-en-22-oate
Stars
DefinitionA steroid acid anion that is the conjugate base of 3-oxo-23,24-bisnor-chol-4-en-22-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified25 July 2017
Submitternhn
DownloadsMolfile
FormulaC22H31O3
Net Charge-1
Average Mass343.487
Monoisotopic Mass343.22787
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)C(=O)[O-]
InChIInChI=1S/C22H32O3/c1-13(20(24)25)17-6-7-18-16-5-4-14-12-15(23)8-10-21(14,2)19(16)9-11-22(17,18)3/h12-13,16-19H,4-11H2,1-3H3,(H,24,25)/p-1/t13-,16-,17+,18-,19-,21-,22+/m0/s1
InChIKeyQETBTXOVEBTJQH-WAMTXRNCSA-M
ChEBI Ontology
Outgoing Relation(s)
3-oxo-23,24-bisnorchol-4-en-22-oate (CHEBI:83777) is a steroid acid anion (CHEBI:50160)
3-oxo-23,24-bisnorchol-4-en-22-oate (CHEBI:83777) is conjugate base of 3-oxo-23,24-bisnorchol-4-en-22-oic acid (CHEBI:83776)
Incoming Relation(s)
3-oxo-23,24-bisnorchol-4-en-22-oic acid (CHEBI:83776) is conjugate acid of 3-oxo-23,24-bisnorchol-4-en-22-oate (CHEBI:83777)
Synonyms  Source
4-BNC(1−)SUBMITTER
3-oxo-23,24-bisnorchol-4-en-22-oate(1−)ChEBI
UniProt Name  Source
3-oxochol-4-en-22-oateUniProt
Citations