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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-oxo-23,24-bisnorchol-4-en-22-oate
ChEBI ID CHEBI:83777
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
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Formula C22H31O3
Net Charge -1
Average Mass 343.48030
Monoisotopic Mass 343.22787
InChI InChI=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
InChIKey QETBTXOVEBTJQH-WAMTXRNCSA-M
SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C([O-])=O
ChEBI Ontology
Outgoing 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 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 Sources
3-oxo-23,24-bisnorchol-4-en-22-oate(1−) ChEBI
3-oxochol-4-en-22-oate UniProt
4-BNC(1−) SUBMITTER
Citations Waiting for Citations Types Sources
21987574 PubMed citation SUBMITTER
24244004 PubMed citation SUBMITTER
Last Modified
25 July 2017