CHEBI:71542 - (25S)-Δ7-dafachronate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (25S)-Δ7-dafachronate
ChEBI ID CHEBI:71542
ChEBI ASCII Name (25S)-Delta(7)-dafachronate
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information
Download Molfile XML SDF
Formula C27H41O3
Net Charge -1
Average Mass 413.61260
Monoisotopic Mass 413.30612
InChI InChI=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
InChIKey SQTAVUCHOVVOFD-OBRBSRNPSA-M
SMILES [H][C@@]12CC=C3[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC[C@H](C)C([O-])=O)[C@@]1(C)CCC(=O)C2
ChEBI Ontology
Outgoing (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 (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 Sources
(25S)-3-keto-cholest-7-en-26-oate SUBMITTER
(25S)-Δ7-dafachronate UniProt
3-keto-7,(5α)-cholestenoate SUBMITTER
dafa#1 anion ChEBI
dafa#1(1−) ChEBI
Δ7-DA SUBMITTER
Δ7-dafachronate SUBMITTER
Citations Waiting for Citations Types Sources
16529801 PubMed citation SUBMITTER
20178781 PubMed citation SUBMITTER
21749634 PubMed citation SUBMITTER
Last Modified
24 September 2014