CHEBI:71613 - (25R)-Δ4-dafachronic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (25R)-Δ4-dafachronic acid
ChEBI ID CHEBI:71613
ChEBI ASCII Name (25R)-Delta(4)-dafachronic acid
Definition A cholestanoid that is (5α,25R)-cholest-4-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/h16-18,21-24H,5-15H2,1-4H3,(H,29,30)/t17-,18-,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey PSXQJZDFWDKBIP-MNVVPKPGSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC[C@@H](C)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): hormone
Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
(via steroid hormone )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (25R)-Δ4-dafachronic acid (CHEBI:71613) is a Δ4-dafachronic acid (CHEBI:78686)
(25R)-Δ4-dafachronic acid (CHEBI:71613) is conjugate acid of (25R)-Δ4-dafachronate (CHEBI:71570)
Incoming (25R)-Δ4-dafachronate (CHEBI:71570) is conjugate base of (25R)-Δ4-dafachronic acid (CHEBI:71613)
IUPAC Name
(5α,25R)-3-oxocholest-4-en-26-oic acid
Synonyms Sources
(25R),26-3-keto-4-cholestenoic acid ChEBI
(25R)-3-ketocholest-4-en-26-oic acid ChEBI
Manual Xref Database
US2007219173 Patent
View more database links
Registry Number Type Source
10043384 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16529801 PubMed citation Europe PMC
19196833 PubMed citation Europe PMC
Last Modified
17 July 2014