CHEBI:83149 - (25S)-3α-hydroxy-5α-cholest-7-en-26-oic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (25S)-3α-hydroxy-5α-cholest-7-en-26-oic acid ChEBI ID CHEBI:83149 ChEBI ASCII Name (25S)-3alpha-hydroxy-5alpha-cholest-7-en-26-oic acid Definition A steroid acid that is 5α-cholest-7-en-26-oic acid that has S configuration at position 25 and is substituted by a hydroxy group at the 3α position. It is an endogenous ligand for DAF-12 in Caenorhabditis elegans. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H44O3 Net Charge 0 Average Mass 416.63650 Monoisotopic Mass 416.32905 InChI InChI=1S/C27H44O3/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/h9,17-20,22-24,28H,5-8,10-16H2,1-4H3,(H,29,30)/t17-,18+,19+,20-,22-,23+,24+,26+,27-/m1/s1 InChIKey WWAMLGNSINNDPI-NDGCQPAQSA-N SMILES C[C@H](CCC[C@H](C)C(O)=O)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C Metabolite of Species Details Caenorhabditis elegans (NCBI:txid6239) See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): Caenorhabditis elegans metabolite A nematode metabolite produced by Caenorhabditis elegans. View more via ChEBI Ontology ChEBI Ontology Outgoing (25S)-3α-hydroxy-5α-cholest-7-en-26-oic acid (CHEBI:83149) has role Caenorhabditis elegans metabolite (CHEBI:78804) (25S)-3α-hydroxy-5α-cholest-7-en-26-oic acid (CHEBI:83149) is a 3α-hydroxy steroid (CHEBI:36835) (25S)-3α-hydroxy-5α-cholest-7-en-26-oic acid (CHEBI:83149) is a cholestanoid (CHEBI:50401) (25S)-3α-hydroxy-5α-cholest-7-en-26-oic acid (CHEBI:83149) is a monocarboxylic acid (CHEBI:25384) (25S)-3α-hydroxy-5α-cholest-7-en-26-oic acid (CHEBI:83149) is a steroid acid (CHEBI:47891) IUPAC Name (25S)-3α-hydroxy-5α-cholest-7-en-26-oic acid Synonyms Sources (+)-(25S)-3α-hydroxy-5α-cholest-7-en-26-oic acid ChEBI (+)-3α-hydroxy-(5α,25S)-3-oxocholest-7-en-26-oic acid SMID (3α,5α,25S)-3-hydroxy-7-cholestenoic acid ChEBI (3α,5α,25S)-3-hydroxycholest-7-en-26-oic acid IUPAC (3R,25S)-3-hydroxy-cholest-7-en-26-oic acid ChEBI 3α-OH-Δ7-dafachronic acid SMID dafa#3 Note: (2014-09-25) Previous name. Renamed to hyda#1 at the suggestion of the reviewers of Angew. Chem., Int. Ed., 2014, v53(8), 2110-2113. The name dafa#3 is now used for (25S)-3-oxo-5α-cholest-1,7-dien-26-oic acid, which was previously known as dafa#1. SMID hyda#1 SMID Citations Types Sources 24411940 PubMed citation Europe PMC 24453122 PubMed citation Europe PMC Last Modified 27 February 2015