(20S,23,25)-trihydroxyvitamin D3 (CHEBI:91308)

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CHEBI:91308 - (20S,23,25)-trihydroxyvitamin D₃

ChEBI ID	CHEBI:91308
ChEBI Name	(20S,23,25)-trihydroxyvitamin D₃
Stars
ASCII Name	(20S,23,25)-trihydroxyvitamin D3
Definition	A hydroxycalciol that consists of vitamin D₃ (calciol) carrying additional hydroxy groups at positions 20 (with S-configuration), 23 and 25.
Last Modified	17 May 2016
Submitter	nhn
Downloads	Molfile

Formula	C27H44O4
Net Charge	0
Average Mass	432.645
Monoisotopic Mass	432.32396
SMILES	[H][C@]1([C@@](C)(O)CC(O)CC(C)(C)O)CC[C@@]2([H])/C(=C/C=C3/C[C@@H](O)CCC3=C)CCC[C@]12C
InChI	InChI=1S/C27H44O4/c1-18-8-11-21(28)15-20(18)10-9-19-7-6-14-26(4)23(19)12-13-24(26)27(5,31)17-22(29)16-25(2,3)30/h9-10,21-24,28-31H,1,6-8,11-17H2,2-5H3/b19-9+,20-10-/t21-,22?,23-,24-,26-,27-/m0/s1
InChIKey	NFZNZUWOOKEBKC-GRHFVJACSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	PubMed (25727742)
Rattus norvegicus (ncbitaxon:10116)	-	PubMed (25727742)

Roles Classification

Biological Roles:

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).

fat-soluble vitamin (role) Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.

ChEBI Ontology

Outgoing Relation(s)
	(20S,23,25)-trihydroxyvitamin D₃ (CHEBI:91308) has role human metabolite (CHEBI:77746)
	(20S,23,25)-trihydroxyvitamin D₃ (CHEBI:91308) has role rat metabolite (CHEBI:86264)
	(20S,23,25)-trihydroxyvitamin D₃ (CHEBI:91308) is a D₃ vitamins (CHEBI:73558)
	(20S,23,25)-trihydroxyvitamin D₃ (CHEBI:91308) is a hydroxycalciol (CHEBI:47042)
	(20S,23,25)-trihydroxyvitamin D₃ (CHEBI:91308) is a tetrol (CHEBI:33573)

IUPAC Name
(3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,20,23,25-tetrol

Synonym	Source
20S,23,25(OH)₃D₃	SUBMITTER

UniProt Name	Source
20S,23,25-trihydroxycholecalciferol	UniProt

Registry Numbers	Sources
Reaxys:28472927	Reaxys

Citations

CHEBI:91308 - (20S,23,25)-trihydroxyvitamin D3

CHEBI:91308 - (20S,23,25)-trihydroxyvitamin D₃