CHEBI:191938 - (16S,22S)-dihydroxycholesterol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (16S,22S)-dihydroxycholesterol
ChEBI ID CHEBI:191938
ChEBI ASCII Name (16S,22S)-dihydroxycholesterol
Definition A C27-steroid that is cholesterol carrying a hydroxy group at position 16S and 22S.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter laimo
Supplier Information ChemicalBook:CB3350290, eMolecules:31430156, ZINC000005759161
Download Molfile XML SDF
Formula C27H46O3
Net Charge 0
Average Mass 418.662
Monoisotopic Mass 418.34470
InChI InChI=1S/C27H46O3/c1-16(2)6-9-23(29)17(3)25-24(30)15-22-20-8-7-18-14-19(28)10-12-26(18,4)21(20)11-13-27(22,25)5/h7,16-17,19-25,28-30H,6,8-15H2,1-5H3/t17-,19+,20-,21+,22+,23+,24+,25+,26+,27+/m1/s1
InChIKey IIGMATMTMWUMJV-QKFQEXBKSA-N
SMILES [H][C@]1([C@H](C)[C@@H](O)CCC(C)C)[C@@H](O)C[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (16S,22S)-dihydroxycholesterol (CHEBI:191938) has functional parent cholesterol (CHEBI:16113)
(16S,22S)-dihydroxycholesterol (CHEBI:191938) has role plant metabolite (CHEBI:76924)
(16S,22S)-dihydroxycholesterol (CHEBI:191938) is a 16β-hydroxy steroid (CHEBI:17354)
(16S,22S)-dihydroxycholesterol (CHEBI:191938) is a 22-hydroxy steroid (CHEBI:36863)
(16S,22S)-dihydroxycholesterol (CHEBI:191938) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
(16S,22S)-dihydroxycholesterol (CHEBI:191938) is a 3β-sterol (CHEBI:35348)
(16S,22S)-dihydroxycholesterol (CHEBI:191938) is a C27-steroid (CHEBI:131619)
(16S,22S)-dihydroxycholesterol (CHEBI:191938) is a cholestanoid (CHEBI:50401)
Incoming (16S)-hydroxy-22-oxocholesterol (CHEBI:191941) has functional parent (16S,22S)-dihydroxycholesterol (CHEBI:191938)
IUPAC Name
(22S)-cholest-5-ene-3β,16β,22-triol
Synonyms Sources
(16S,22S)-16,22-dihydroxycholesterol SUBMITTER
(16S,22S)-dihydroxycholesterol UniProt
(3S,16S,22S)-cholest-5-ene-3,16,22-triol SUBMITTER
(3S,22S)-cholesta-5-ene-3β,16β,22-triol ChEBI
16S,22S-dihydroxycholesterol SUBMITTER
Citations Types Sources
11520229 PubMed citation Europe PMC
31324795 PubMed citation SUBMITTER
34816537 PubMed citation Europe PMC
Last Modified
18 May 2022