CHEBI:83776 - 3-oxo-23,24-bisnorchol-4-en-22-oic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-oxo-23,24-bisnorchol-4-en-22-oic acid
ChEBI ID CHEBI:83776
Definition A steroid acid that is 23,24-bisnor-chol-4-en-22-oic acid bearing an additional oxo substituent at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
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Formula C22H32O3
Net Charge 0
Average Mass 344.48770
Monoisotopic Mass 344.23514
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)/t13-,16-,17+,18-,19-,21-,22+/m0/s1
InChIKey QETBTXOVEBTJQH-WAMTXRNCSA-N
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-oic acid (CHEBI:83776) has parent hydride pregnane (CHEBI:8386)
3-oxo-23,24-bisnorchol-4-en-22-oic acid (CHEBI:83776) is a 3-oxo-Δ4 steroid (CHEBI:47909)
3-oxo-23,24-bisnorchol-4-en-22-oic acid (CHEBI:83776) is a steroid acid (CHEBI:47891)
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)
Incoming 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA (CHEBI:84616) has functional parent 3-oxo-23,24-bisnorchol-4-en-22-oic acid (CHEBI:83776)
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)
Synonyms Sources
(20S)-3-oxopregn-4-ene-20-carboxylic acid ChEBI
23,24-bisnorchola-1,4-dien-3-one-22-carboxylic acid ChEBI
23,24-dinor-3-oxochol-4-en-22-oic acid ChEBI
3-oxo-23,24-bisnor-chol-4-en-22-oic acid SUBMITTER
3-oxo-4-pregnene-20β-carboxylic acid ChEBI
4-BNC SUBMITTER
Manual Xref Database
CPD-13737 MetaCyc
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Registry Number Type Source
3219620 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21987574 PubMed citation SUBMITTER
24244004 PubMed citation SUBMITTER
Last Modified
04 May 2017