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CHEBI:71542 - (25S)-Δ7-dafachronate

ChEBI IDCHEBI:71542
ChEBI Name(25S)-Δ7-dafachronate
Stars
ASCII Name(25S)-Delta(7)-dafachronate
DefinitionA steroid acid anion that is the conjugate base of (25S)-Δ7-dafachronic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified24 September 2014
SubmitterAlan Bridge
DownloadsMolfile
FormulaC27H41O3
Net Charge-1
Average Mass413.622
Monoisotopic Mass413.30612
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)/p-1/t17-,18+,19+,22-,23+,24+,26+,27-/m1/s1
InChIKeySQTAVUCHOVVOFD-OBRBSRNPSA-M
ChEBI Ontology
Outgoing Relation(s)
(25S)-Δ7-dafachronate (CHEBI:71542) is a steroid acid anion (CHEBI:50160)
(25S)-Δ7-dafachronate (CHEBI:71542) is conjugate base of (25S)-Δ7-dafachronic acid (CHEBI:71556)
Incoming Relation(s)
(25S)-Δ7-dafachronic acid (CHEBI:71556) is conjugate acid of (25S)-Δ7-dafachronate (CHEBI:71542)
IUPAC Name 
(5α,25S)-3-oxocholest-7-en-26-oate
Synonyms  Source
Δ7-DASUBMITTER
3-keto-7,(5α)-cholestenoateSUBMITTER
Δ7-dafachronateSUBMITTER
(25S)-3-keto-cholest-7-en-26-oateSUBMITTER
dafa#1 anionChEBI
dafa#1(1−)ChEBI
UniProt Name  Source
(25S)-Δ7-dafachronateUniProt
Citations