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

ChEBI IDCHEBI:83776
ChEBI Name3-oxo-23,24-bisnorchol-4-en-22-oic acid
Stars
DefinitionA steroid acid that is 23,24-bisnor-chol-4-en-22-oic acid bearing an additional oxo substituent at position 3.
Last Modified4 May 2017
Submitternhn
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
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)/t13-,16-,17+,18-,19-,21-,22+/m0/s1
InChIKeyQETBTXOVEBTJQH-WAMTXRNCSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
3-oxo-23,24-bisnor-chol-4-en-22-oic acidSUBMITTER
4-BNCSUBMITTER
3-oxo-4-pregnene-20β-carboxylic acidChEBI
23,24-bisnorchola-1,4-dien-3-one-22-carboxylic acidChEBI
23,24-dinor-3-oxochol-4-en-22-oic acidChEBI
(20S)-3-oxopregn-4-ene-20-carboxylic acidChEBI
Manual XrefsDatabases
CPD-13737MetaCyc
Registry NumbersSources
Reaxys:3219620Reaxys
Citations