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CHEBI:86096 - (25R)-3β-hydroxycholest-5-en-26-al

ChEBI IDCHEBI:86096
ChEBI Name(25R)-3β-hydroxycholest-5-en-26-al
Stars
ASCII Name(25R)-3beta-hydroxycholest-5-en-26-al
DefinitionA 3β-hydroxycholest-5-en-26-al in which the stereocentre at position 25 has R-configuration.
Last Modified25 April 2017
Submitterlaimo
DownloadsMolfile
FormulaC27H44O2
Net Charge0
Average Mass400.647
Monoisotopic Mass400.33413
SMILES[H]C(=O)[C@H](C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
InChIInChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,17-19,21-25,29H,5-7,9-16H2,1-4H3/t18-,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyJUGXQEJPWDYOJV-YSQMORBQSA-N
Roles Classification
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-al (CHEBI:86096) has functional parent (25R)-cholest-5-ene-3β,26-diol (CHEBI:76591)
(25R)-3β-hydroxycholest-5-en-26-al (CHEBI:86096) is a 3β-hydroxycholest-5-en-26-al (CHEBI:84145)
Incoming Relation(s)
(25R)-3β-hydroxycholest-5-en-26-oic acid (CHEBI:86378) has functional parent (25R)-3β-hydroxycholest-5-en-26-al (CHEBI:86096)
IUPAC Name 
(25R)-3β-hydroxycholest-5-en-26-al
Synonym  Source
(3β,25R)-3-hydroxycholest-5-en-26-alIUPAC
UniProt Name  Source
(25R)-3β-hydroxy-5-cholesten-26-alUniProt