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CHEBI:71570 - (25R)-Δ4-dafachronate

ChEBI IDCHEBI:71570
ChEBI Name(25R)-Δ4-dafachronate
Stars
ASCII Name(25R)-Delta(4)-dafachronate
DefinitionA steroid acid anion that is the conjugate base of (25R)-Δ4-dafachronic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified26 November 2014
SubmitterAlan Bridge
DownloadsMolfile
FormulaC27H41O3
Net Charge-1
Average Mass413.622
Monoisotopic Mass413.30612
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)/p-1/t17-,18-,21+,22-,23+,24+,26+,27-/m1/s1
InChIKeyPSXQJZDFWDKBIP-MNVVPKPGSA-M
ChEBI Ontology
Outgoing Relation(s)
(25R)-Δ4-dafachronate (CHEBI:71570) is a Δ4-dafachronate (CHEBI:78358)
(25R)-Δ4-dafachronate (CHEBI:71570) is conjugate base of (25R)-Δ4-dafachronic acid (CHEBI:71613)
Incoming Relation(s)
(25R)-Δ4-dafachronic acid (CHEBI:71613) is conjugate acid of (25R)-Δ4-dafachronate (CHEBI:71570)
IUPAC Name 
(5α,25R)-3-oxocholest-4-en-26-oate
Synonyms  Source
(25R),26-3-keto-4-cholestenoateSUBMITTER
(25R)-3-ketocholest-4-en-26-oateSUBMITTER
UniProt Name  Source
(25R)-3-oxocholest-4-en-26-oateUniProt
Citations