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CHEBI:78699 - Δ7-dafachronic acid

ChEBI IDCHEBI:78699
ChEBI NameΔ7-dafachronic acid
Stars
ASCII NameDelta(7)-dafachronic acid
DefinitionA 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.
Last Modified4 June 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC27H42O3
Net Charge0
Average Mass414.630
Monoisotopic Mass414.31340
SMILES[H][C@@]12CC=C3[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCCC(C)C(=O)O)[C@@]1(C)CCC(=O)C2
InChIInChI=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
InChIKeySQTAVUCHOVVOFD-GAMFLDECSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(25S)-Δ7-dafachronic acid (CHEBI:71556) is a Δ7-dafachronic acid (CHEBI:78699)
IUPAC Name 
(5α)-3-oxocholest-7-en-26-oic acid