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CHEBI:85910 - 9α-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oic acid

ChEBI IDCHEBI:85910
ChEBI Name9α-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oic acid
Stars
ASCII Name9alpha-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oic acid
DefinitionA steroid acid that is 23,24-bisnor-chol-4-en-22-oic acid bearing additional oxo and hydroxy substituent at positions 3 and 9 respectively.
Last Modified2 June 2015
SubmitterSteve
DownloadsMolfile
FormulaC22H32O4
Net Charge0
Average Mass360.494
Monoisotopic Mass360.23006
SMILES[H][C@@]12CC[C@]([H])([C@H](C)C(=O)O)[C@@]1(C)CC[C@@]1(O)[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C22H32O4/c1-13(19(24)25)16-6-7-17-18-5-4-14-12-15(23)8-9-21(14,3)22(18,26)11-10-20(16,17)2/h12-13,16-18,26H,4-11H2,1-3H3,(H,24,25)/t13-,16+,17-,18-,20+,21-,22+/m0/s1
InChIKeyJHVIIDLZSOMCBJ-MPITXTFFSA-N
ChEBI Ontology
Outgoing Relation(s)
9α-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oic acid (CHEBI:85910) has parent hydride pregnane (CHEBI:8386)
9α-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oic acid (CHEBI:85910) is a 3-oxo-Δ4 steroid (CHEBI:47909)
9α-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oic acid (CHEBI:85910) is a 9-hydroxy steroid (CHEBI:63644)
9α-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oic acid (CHEBI:85910) is a steroid acid (CHEBI:47891)
9α-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oic acid (CHEBI:85910) is conjugate acid of 9α-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oate (CHEBI:85550)
Incoming Relation(s)
9α-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oate (CHEBI:85550) is conjugate base of 9α-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oic acid (CHEBI:85910)
Synonym  Source
9α-hydroxy-3-oxo-23,24-dinorchol-4-en-22-oic acidChEBI
Manual XrefsDatabases
CPD-13744MetaCyc
Registry NumbersSources
Reaxys:5623885Reaxys