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

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

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ChEBI ID	CHEBI:191938
ChEBI Name	(16S,22S)-dihydroxycholesterol
Stars
ASCII Name	(16S,22S)-dihydroxycholesterol
Definition	A C₂₇-steroid that is cholesterol carrying a hydroxy group at position 16S and 22S.
Last Modified	18 May 2022
Submitter	laimo
Downloads	Molfile

Formula	C27H46O3
Net Charge	0
Average Mass	418.662
Monoisotopic Mass	418.34470
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
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

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)
	(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 Relation(s)
Incoming Relation(s)	(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	Source
(3S,16S,22S)-cholest-5-ene-3,16,22-triol	SUBMITTER
16S,22S-dihydroxycholesterol	SUBMITTER
(16S,22S)-16,22-dihydroxycholesterol	SUBMITTER
(3S,22S)-cholesta-5-ene-3β,16β,22-triol	ChEBI

UniProt Name	Source
(16S,22S)-dihydroxycholesterol	UniProt

Citations