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CHEBI:178590 - (25R)-3beta-hydroxy-7-oxo-5-cholestenoic acid

ChEBI IDCHEBI:178590
ChEBI Name(25R)-3beta-hydroxy-7-oxo-5-cholestenoic acid
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SubmitterMetaboLights
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FormulaC27H42O4
Net Charge0
Average Mass430.629
Monoisotopic Mass430.30831
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC[C@@H](C)C(=O)O)[C@@]1(C)CC[C@@]1([H])C2C(=O)C=C2C[C@@H](O)CC[C@@]21C
InChIInChI=1S/C27H42O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h15-17,19-22,24,28H,5-14H2,1-4H3,(H,30,31)/t16-,17-,19+,20-,21+,22+,24?,26+,27-/m1/s1
InChIKeyQOEPZHFZXUROGV-VEQZWHMNSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(25R)-3beta-hydroxy-7-oxo-5-cholestenoic acid (CHEBI:178590) is a bile acid (CHEBI:3098)
IUPAC Name 
(2R,6R)-6-[(3S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
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