CHEBI:78358 - Δ4-dafachronate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Δ4-dafachronate
ChEBI ID CHEBI:78358
ChEBI ASCII Name Delta(4)-dafachronate
Definition A steroid acid anion that is the conjugate base of Δ4-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 KAX
Supplier Information
Download Molfile XML SDF
Formula C27H41O3
Net Charge -1
Average Mass 413.61320
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/h16-18,21-24H,5-15H2,1-4H3,(H,29,30)/p-1/t17-,18?,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey PSXQJZDFWDKBIP-NNWQCNCGSA-M
SMILES C[C@H](CCCC(C)C([O-])=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing Δ4-dafachronate (CHEBI:78358) is a steroid acid anion (CHEBI:50160)
Δ4-dafachronate (CHEBI:78358) is conjugate base of Δ4-dafachronic acid (CHEBI:78686)
Incoming (25R)-Δ4-dafachronate (CHEBI:71570) is a Δ4-dafachronate (CHEBI:78358)
(25S)-Δ4-dafachronate (CHEBI:71541) is a Δ4-dafachronate (CHEBI:78358)
Δ4-dafachronic acid (CHEBI:78686) is conjugate acid of Δ4-dafachronate (CHEBI:78358)
IUPAC Name
3-oxocholest-4-en-26-oate
Synonym Source
3-oxocholest-4-en-26-oate UniProt
Citations Waiting for Citations Types Sources
21602385 PubMed citation SUBMITTER
24244004 PubMed citation SUBMITTER
Last Modified
17 July 2014