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CHEBI:85911 - 3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid

ChEBI IDCHEBI:85911
ChEBI Name3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid
Stars
DefinitionA steroid acid that is 23,24-bisnor-chol-1,4-dien-22-oic acid bearing an additional oxo substituent at position 3.
Last Modified2 June 2015
SubmitterSteve
DownloadsMolfile
FormulaC22H30O3
Net Charge0
Average Mass342.479
Monoisotopic Mass342.21949
SMILES[H][C@@]12CCC3=CC(=O)C=C[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/C22H30O3/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/h8,10,12-13,16-19H,4-7,9,11H2,1-3H3,(H,24,25)/t13-,16-,17+,18-,19-,21-,22+/m0/s1
InChIKeyOZESBBVMFLIODA-WAMTXRNCSA-N
ChEBI Ontology
Outgoing Relation(s)
3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid (CHEBI:85911) has parent hydride pregnane (CHEBI:8386)
3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid (CHEBI:85911) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid (CHEBI:85911) is a steroid acid (CHEBI:47891)
3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid (CHEBI:85911) is conjugate acid of 3-oxo-23,24-bisnorchola-1,4-dien-22-oate(1−) (CHEBI:85551)
Incoming Relation(s)
3-oxo-23,24-bisnorchola-1,4-dien-22-oate(1−) (CHEBI:85551) is conjugate base of 3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid (CHEBI:85911)
Synonyms  Source
3-oxo-23,24-dinorchola-1,4-dien-22-oic acidChEBI
3-keto-23,24-bisnorchola-1,4-dien-22-oic acidChEBI
3-keto-23,24-dinorchola-1,4-dien-22-oic acidChEBI
20-Carboxy-1,4-pregnadien-3-oneChemIDplus
Manual XrefsDatabases
CPD-13738MetaCyc
Registry NumbersSources
Reaxys:4526990Reaxys
CAS:20248-18-4ChemIDplus
Citations