CHEBI:58750 - (25R)-3α,7α-dihydroxy-5β-cholestan-26-oate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (25R)-3α,7α-dihydroxy-5β-cholestan-26-oate
ChEBI ID CHEBI:58750
ChEBI ASCII Name (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oate
Definition Conjugate base of (25R)-3α,7α-dihydroxy-5β-cholestan-26-oic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H45O4
Net Charge -1
Average Mass 433.64380
Monoisotopic Mass 433.33233
InChI InChI=1S/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/p-1/t16-,17-,18+,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1
InChIKey ITZYGDKGRKKBSN-RXDNHGQQSA-M
SMILES [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC[C@@H](C)C([O-])=O
ChEBI Ontology
Outgoing (25R)-3α,7α-dihydroxy-5β-cholestan-26-oate (CHEBI:58750) is a bile acid anion (CHEBI:36235)
(25R)-3α,7α-dihydroxy-5β-cholestan-26-oate (CHEBI:58750) is conjugate base of (25R)-3α,7α-dihydroxy-5β-cholestan-26-oic acid (CHEBI:48467)
Incoming (25R)-3α,7α-dihydroxy-5β-cholestan-26-oic acid (CHEBI:48467) is conjugate acid of (25R)-3α,7α-dihydroxy-5β-cholestan-26-oate (CHEBI:58750)
IUPAC Name
(25R)-3α,7α-dihydroxy-5β-cholestan-26-oate
Synonym Source
(25R)-3α,7α-dihydroxy-5β-cholestan-26-oate UniProt
Last Modified
13 November 2017