CHEBI:86509 - barogenin

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ChEBI Name barogenin
ChEBI ID CHEBI:86509
Definition A cholestanoid that is cholest-5-ene substituted by hydroxy groups at positions 3 and 26 and oxo groups at positions 16 and 22 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H44O4
Net Charge 0
Average Mass 432.63590
Monoisotopic Mass 432.32396
InChI InChI=1S/C27H44O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-22,25,28-29H,5-15H2,1-4H3/t16-,17+,18?,19-,20+,21-,22-,25-,26-,27-/m0/s1
InChIKey WUCJZZPXANOCFR-MRODEFQISA-N
SMILES C[C@H](CO)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@H]2[C@@H]3CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Metabolite of Species Details
Solanum tuberosum (NCBI:txid4113) See: DOI
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
food component
A physiological role played by any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing barogenin (CHEBI:86509) has role food component (CHEBI:78295)
barogenin (CHEBI:86509) has role plant metabolite (CHEBI:76924)
barogenin (CHEBI:86509) is a 16-oxo steroid (CHEBI:47786)
barogenin (CHEBI:86509) is a 26-hydroxy steroid (CHEBI:36852)
barogenin (CHEBI:86509) is a 3β-hydroxy steroid (CHEBI:36836)
barogenin (CHEBI:86509) is a cholestanoid (CHEBI:50401)
IUPAC Name
(25S)-3β,26-dihydroxycholest-5-ene-16,22-dione
Manual Xref Database
HMDB0034403 HMDB
View more database links
Registry Number Type Source
2187990 Reaxys Registry Number Reaxys
Last Modified
16 July 2015