EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:71560 - (25S)-Δ4-dafachronic acid

ChEBI IDCHEBI:71560
ChEBI Name(25S)-Δ4-dafachronic acid
Stars
ASCII Name(25S)-Delta(4)-dafachronic acid
DefinitionA Δ4-dafachronic acid that has S configuration at position 25 (the carbon attached to the carboxy group). Found in Caenorhabditis elegans.
Last Modified3 February 2015
SubmitterSteve
DownloadsMolfile
FormulaC27H42O3
Net Charge0
Average Mass414.630
Monoisotopic Mass414.31340
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC[C@H](C)C(=O)O
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/h16-18,21-24H,5-15H2,1-4H3,(H,29,30)/t17-,18+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKeyPSXQJZDFWDKBIP-KMPPVSSLSA-N
Species of MetaboliteComponentSourceComments
Caenorhabditis elegans (ncbitaxon:6239) - PubMed (16529801)
Roles Classification
Chemical Role:
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.
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)-Δ4-dafachronic acid (CHEBI:71560) has role Caenorhabditis elegans metabolite (CHEBI:78804)
(25S)-Δ4-dafachronic acid (CHEBI:71560) is a Δ4-dafachronic acid (CHEBI:78686)
(25S)-Δ4-dafachronic acid (CHEBI:71560) is conjugate acid of (25S)-Δ4-dafachronate (CHEBI:71541)
Incoming Relation(s)
(25S)-3-oxocholest-4-en-26-oyl-CoA (CHEBI:84666) has functional parent (25S)-Δ4-dafachronic acid (CHEBI:71560)
(25S)-Δ4-dafachronate (CHEBI:71541) is conjugate base of (25S)-Δ4-dafachronic acid (CHEBI:71560)
IUPAC Name 
(25S)-3-oxocholest-4-en-26-oic acid
Synonyms  Source
Δ4-DAChEBI
(25S)-3-keto-cholest-4-en-26-oic acidChEBI
(25S),26-3-keto-4-cholestenoic acidChEBI
Δ4-dafachronic acidChEBI
dafa#2ChEBI
dafa#4ChEBI
Registry NumbersSources
Reaxys:10043383Reaxys
Citations