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CHEBI:85912 - 9α-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid

ChEBI IDCHEBI:85912
ChEBI Name9α-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid
Stars
ASCII Name9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid
DefinitionA steroid acid that is 23,24-bisnor-chol-1,4-dien-22-oic acid bearing additional oxo and hydroxy substituent at positions 3 and 9 respectively.
Last Modified2 June 2015
SubmitterSteve
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
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)C=C[C@@]21C
InChIInChI=1S/C22H30O4/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/h8-9,12-13,16-18,26H,4-7,10-11H2,1-3H3,(H,24,25)/t13-,16+,17-,18-,20+,21-,22+/m0/s1
InChIKeyHBUZRBRDIKABSC-MPITXTFFSA-N
ChEBI Ontology
Outgoing Relation(s)
9α-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid (CHEBI:85912) has parent hydride pregnane (CHEBI:8386)
9α-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid (CHEBI:85912) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
9α-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid (CHEBI:85912) is a 9-hydroxy steroid (CHEBI:63644)
9α-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid (CHEBI:85912) is a steroid acid (CHEBI:47891)
9α-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid (CHEBI:85912) is conjugate acid of 9α-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oate(1−) (CHEBI:85553)
Incoming Relation(s)
9α-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oate(1−) (CHEBI:85553) is conjugate base of 9α-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid (CHEBI:85912)
Synonyms  Source
9α-hydroxy-3-keto-23,24-bisnorchola-1,4-dien-22-oic acidChEBI
9α-hydroxy-3-keto-23,24-dinorchola-1,4-dien-22-oic acidChEBI
9α-hydroxy-3-oxo-23,24-dinorchola-1,4-dien-22-oic acidChEBI