CHEBI:78686 - Δ4-dafachronic acid

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ChEBI Name Δ4-dafachronic acid
ChEBI ASCII Name Delta(4)-dafachronic acid
Definition A cholestanoid that is cholest-4-en-26-oic acid which is substituted at position 3 by an oxo group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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
SMILES C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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 Δ4-dafachronic acid (CHEBI:78686) is a 3-oxo-Δ4 steroid (CHEBI:47909)
Δ4-dafachronic acid (CHEBI:78686) is a C27-steroid (CHEBI:131619)
Δ4-dafachronic acid (CHEBI:78686) is a dafachronic acids (CHEBI:78698)
Δ4-dafachronic acid (CHEBI:78686) is conjugate acid of Δ4-dafachronate (CHEBI:78358)
Incoming Δ4-dafachronoyl-CoA (CHEBI:79273) has functional parent Δ4-dafachronic acid (CHEBI:78686)
(25R)-Δ4-dafachronic acid (CHEBI:71613) is a Δ4-dafachronic acid (CHEBI:78686)
(25S)-Δ4-dafachronic acid (CHEBI:71560) is a Δ4-dafachronic acid (CHEBI:78686)
Δ4-dafachronate (CHEBI:78358) is conjugate base of Δ4-dafachronic acid (CHEBI:78686)
3-oxocholest-4-en-26-oic acid
Synonyms Sources
3-keto-4-cholestene-26-oic acid ChEBI
3-keto-4-cholestene-27-oic acid ChEBI
cholest-4-en-3-one-26-oic acid ChEBI
cholest-4-en-3-one-27-oic acid ChEBI
Registry Number Type Source
6347697 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19196833 PubMed citation Europe PMC
19225674 PubMed citation Europe PMC
20824162 PubMed citation Europe PMC
24647100 PubMed citation Europe PMC
6655367 PubMed citation Europe PMC
Last Modified
17 July 2014