CHEBI:86378 - (25R)-3β-hydroxycholest-5-en-26-oic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (25R)-3β-hydroxycholest-5-en-26-oic acid
ChEBI ID CHEBI:86378
ChEBI ASCII Name (25R)-3beta-hydroxycholest-5-en-26-oic acid
Definition A 3β-hydroxycholest-5-en-26-oic acid in which the stereocentre at position 25 has R-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
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/h8,17-18,20-24,28H,5-7,9-16H2,1-4H3,(H,29,30)/t17-,18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey WVXOMPRLWLXFAP-KQOPCUSDSA-N
SMILES C[C@H](CCC[C@@H](C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via 3beta-hydroxycholest-5-en-26-oic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (25R)-3β-hydroxycholest-5-en-26-oic acid (CHEBI:86378) has functional parent (25R)-3β-hydroxycholest-5-en-26-al (CHEBI:86096)
(25R)-3β-hydroxycholest-5-en-26-oic acid (CHEBI:86378) is a 3β-hydroxycholest-5-en-26-oic acid (CHEBI:81014)
(25R)-3β-hydroxycholest-5-en-26-oic acid (CHEBI:86378) is conjugate acid of (25R)-3β-hydroxycholest-5-en-26-oate (CHEBI:86098)
Incoming (25R)-3β-hydroxycholest-5-en-26-oate (CHEBI:86098) is conjugate base of (25R)-3β-hydroxycholest-5-en-26-oic acid (CHEBI:86378)
IUPAC Name
(25R)-3β-hydroxycholest-5-en-26-oic acid
Registry Number Type Source
10043381 Reaxys Registry Number Reaxys
Last Modified
25 April 2017