CHEBI:78699 - Δ7-dafachronic acid

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ChEBI Name Δ7-dafachronic acid
ChEBI ID CHEBI:78699
ChEBI ASCII Name Delta(7)-dafachronic acid
Definition A member of the class of dafachronic acids that is (5α)-3-oxocholest-7-ene in which the methyl group at position 26 has been oxidised to the correponding carboxylic acid. Found in Caenorhabditis elegans.
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/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-GAMFLDECSA-N
SMILES C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=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): animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
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 )
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ChEBI Ontology
Outgoing Δ7-dafachronic acid (CHEBI:78699) has role animal metabolite (CHEBI:75767)
Δ7-dafachronic acid (CHEBI:78699) is a 3-oxo Δ7-steroid (CHEBI:71598)
Δ7-dafachronic acid (CHEBI:78699) is a dafachronic acids (CHEBI:78698)
Incoming (25S)-Δ7-dafachronic acid (CHEBI:71556) is a Δ7-dafachronic acid (CHEBI:78699)
IUPAC Name
(5α)-3-oxocholest-7-en-26-oic acid
Last Modified
04 June 2014