CHEBI:71556 - (25S)-Δ7-dafachronic acid

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ChEBI Name (25S)-Δ7-dafachronic acid
ChEBI ID CHEBI:71556
ChEBI ASCII Name (25S)-Delta(7)-dafachronic acid
Definition A Δ7-dafachronic acid that has S configuration at position 25 (the carbon attached to the carboxy group).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000095920575
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-OBRBSRNPSA-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
Metabolite of Species Details
Caenorhabditis elegans (NCBI:txid6239) See: PubMed
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): Caenorhabditis elegans metabolite
A nematode metabolite produced by Caenorhabditis elegans.
animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
(via Delta(7)-dafachronic acid )
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 (25S)-Δ7-dafachronic acid (CHEBI:71556) has role Caenorhabditis elegans metabolite (CHEBI:78804)
(25S)-Δ7-dafachronic acid (CHEBI:71556) is a Δ7-dafachronic acid (CHEBI:78699)
(25S)-Δ7-dafachronic acid (CHEBI:71556) is conjugate acid of (25S)-Δ7-dafachronate (CHEBI:71542)
Incoming (25S)-Δ7-dafachronate (CHEBI:71542) is conjugate base of (25S)-Δ7-dafachronic acid (CHEBI:71556)
IUPAC Name
(25S)-3-oxo-5α-cholest-7-en-26-oic acid
Synonyms Sources
(+)-(25S)-3-keto-5α-cholest-7-en-26-oic acid ChEBI
(+)-(25S)-3-oxo-5α-cholest-7-en-26-oic acid ChEBI
(+)-(5α,25S)-3-oxocholest-7-en-26-oic acid SMID
(25S),26-3-keto-7-cholestenoic acid ChEBI
(25S)-3-keto-5α-cholest-7-en-26-oic acid ChEBI
(5α,25S)-3-oxocholest-7-en-26-oic acid IUPAC
dafa#1 ChEBI
dafa#2
Note: (2014-09-24) Previous name. Renamed to dafa#1 at the suggestion of the reviewers of Angew. Chem., Int. Ed., 2014, v53(8), 2110-2113. The name dafa#2 is now used for (25S)-3-oxocholest-4-en-26-oic acid, which was previously known as dafa#1.
ChEBI
Δ7-DA ChEBI
Δ7-dafachronic acid ChEBI
Manual Xref Database
WO2007103508 Patent
View more database links
Registry Numbers Types Sources
11170956 Reaxys Registry Number Reaxys
949004-12-0 CAS Registry Number SMID
Citations Waiting for Citations
Last Modified
24 September 2014
General Comments
2014-09-24 .
2014-09-24 .