CHEBI:71614 - (25R)-Δ7-dafachronic acid

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ChEBI Name (25R)-Δ7-dafachronic acid
ChEBI ID CHEBI:71614
ChEBI ASCII Name (25R)-Delta(7)-dafachronic acid
Definition A cholestanoid that is (5α,25R)-cholest-7-en-26-oic acid substituted at position 3 by an oxo group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H42O3
Net Charge 0
Average Mass 414.62060
Monoisotopic Mass 414.31340
InChI InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h9,17-19,22-24H,5-8,10-16H2,1-4H3,(H,29,30)/t17-,18-,19+,22-,23+,24+,26+,27-/m1/s1
InChIKey SQTAVUCHOVVOFD-QAIVWSEESA-N
SMILES [H][C@@]12CC=C3[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC[C@@H](C)C(O)=O)[C@@]1(C)CCC(=O)C2
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (25R)-Δ7-dafachronic acid (CHEBI:71614) is a 3-oxo Δ7-steroid (CHEBI:71598)
(25R)-Δ7-dafachronic acid (CHEBI:71614) is a cholestanoid (CHEBI:50401)
(25R)-Δ7-dafachronic acid (CHEBI:71614) is a monocarboxylic acid (CHEBI:25384)
(25R)-Δ7-dafachronic acid (CHEBI:71614) is a steroid acid (CHEBI:47891)
(25R)-Δ7-dafachronic acid (CHEBI:71614) is conjugate acid of (25R)-Δ7-dafachronate (CHEBI:71569)
Incoming (25R)-Δ7-dafachronate (CHEBI:71569) is conjugate base of (25R)-Δ7-dafachronic acid (CHEBI:71614)
IUPAC Name
(5α,25R)-3-oxocholest-7-en-26-oic acid
Synonym Source
(25R)-3-ketocholest-7-en-26-oic acid ChEBI
Registry Number Type Source
18860643 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16529801 PubMed citation Europe PMC
19196833 PubMed citation Europe PMC
Last Modified
05 December 2013