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CHEBI:191946 - (22R)-furost-5-en-3β,22-diol

ChEBI IDCHEBI:191946
ChEBI Name(22R)-furost-5-en-3β,22-diol
Stars
ASCII Name(22R)-furost-5-en-3beta,22-diol
DefinitionA 3β-hydroxy-Δ5-steroid that is furostan carrying a double bond between positions 5-6 and hydroxy groups at positions 3β and 22R.
Last Modified16 June 2022
Submitterlaimo
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])C[C@]2([H])O[C@](O)(CCC(C)C)[C@@H](C)[C@]12[H]
InChIInChI=1S/C27H44O3/c1-16(2)8-13-27(29)17(3)24-23(30-27)15-22-20-7-6-18-14-19(28)9-11-25(18,4)21(20)10-12-26(22,24)5/h6,16-17,19-24,28-29H,7-15H2,1-5H3/t17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
InChIKeySWULDWSDBMQXRY-GQPIHPSPSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(22R)-furost-5-en-3β,22-diol (CHEBI:191946) has functional parent (16S)-hydroxy-22-oxocholesterol (CHEBI:191941)
(22R)-furost-5-en-3β,22-diol (CHEBI:191946) has parent hydride furostan (CHEBI:24130)
(22R)-furost-5-en-3β,22-diol (CHEBI:191946) has role plant metabolite (CHEBI:76924)
(22R)-furost-5-en-3β,22-diol (CHEBI:191946) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
(22R)-furost-5-en-3β,22-diol (CHEBI:191946) is a 3β-sterol (CHEBI:35348)
(22R)-furost-5-en-3β,22-diol (CHEBI:191946) is a C27-steroid (CHEBI:131619)
IUPAC Name 
(22R)-furost-5-en-3β,22-diol
UniProt Name  Source
(22R)-furost-5-en-3β-22-diolUniProt
Citations