CHEBI:85551 - 3-oxo-23,24-bisnorchola-1,4-dien-22-oate(1−)

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ChEBI Name 3-oxo-23,24-bisnorchola-1,4-dien-22-oate(1−) ChEBI ID CHEBI:85551 ChEBI ASCII Name 3-oxo-23,24-bisnorchola-1,4-dien-22-oate(1-) Definition A steroid acid anion that is the conjugate base of 3-oxo-23,24-bisnorchola-1,4-dien-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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H29O3 Net Charge -1 Average Mass 341.46440 Monoisotopic Mass 341.21222 InChI InChI=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)/p-1/t13-,16-,17+,18-,19-,21-,22+/m0/s1 InChIKey OZESBBVMFLIODA-WAMTXRNCSA-M SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)C([O-])=O ChEBI Ontology Outgoing 3-oxo-23,24-bisnorchola-1,4-dien-22-oate(1−) (CHEBI:85551) is a steroid acid anion (CHEBI:50160) 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) Incoming 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) Synonym Source 3-oxochola-1,4-dien-22-oate UniProt Manual Xref Database CPD-13738 MetaCyc View more database links Citation Type Source 21987574 PubMed citation SUBMITTER Last Modified 25 July 2017