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

ChEBI IDCHEBI:86378
ChEBI Name(25R)-3β-hydroxycholest-5-en-26-oic acid
Stars
ASCII Name(25R)-3beta-hydroxycholest-5-en-26-oic acid
DefinitionA 3β-hydroxycholest-5-en-26-oic acid in which the stereocentre at position 25 has R-configuration.
Last Modified25 April 2017
SubmitterSteve
DownloadsMolfile
FormulaC27H44O3
Net Charge0
Average Mass416.646
Monoisotopic Mass416.32905
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC[C@@H](C)C(=O)O
InChIInChI=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
InChIKeyWVXOMPRLWLXFAP-KQOPCUSDSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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 NumbersSources
Reaxys:10043381Reaxys