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

ChEBI IDCHEBI:71556
ChEBI Name(25S)-Δ7-dafachronic acid
Stars
ASCII Name(25S)-Delta(7)-dafachronic acid
DefinitionA Δ7-dafachronic acid that has S configuration at position 25 (the carbon attached to the carboxy group).
Last Modified24 September 2014
SubmitterSteve
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)CCC[C@H](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-OBRBSRNPSA-N
Species of MetaboliteComponentSourceComments
Caenorhabditis elegans (ncbitaxon:6239) - PubMed (16529801)
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
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.
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.
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)
(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 Relation(s)
(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  Source
(25S)-3-keto-5α-cholest-7-en-26-oic acidChEBI
(25S),26-3-keto-7-cholestenoic acidChEBI
Δ7-dafachronic acidChEBI
Δ7-DAChEBI
dafa#2ChEBI
(5α,25S)-3-oxocholest-7-en-26-oic acidIUPAC
Manual XrefsDatabases
WO2007103508Patent
Registry NumbersSources
Reaxys:11170956Reaxys
CAS:949004-12-0SMID
Citations