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CHEBI:90985 - (20S,24R)-dihydroxyvitamin D3

ChEBI IDCHEBI:90985
ChEBI Name(20S,24R)-dihydroxyvitamin D3
Stars
ASCII Name(20S,24R)-dihydroxyvitamin D3
DefinitionA hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 (with S-configuration) and 24 (with R-configuration).
Last Modified21 March 2016
Submitternhn
DownloadsMolfile
FormulaC27H44O3
Net Charge0
Average Mass416.646
Monoisotopic Mass416.32905
SMILES[H][C@]1([C@@](C)(O)CC[C@@H](O)C(C)C)CC[C@@]2([H])/C(=C/C=C3/C[C@@H](O)CCC3=C)CCC[C@]12C
InChIInChI=1S/C27H44O3/c1-18(2)24(29)14-16-27(5,30)25-13-12-23-20(7-6-15-26(23,25)4)9-10-21-17-22(28)11-8-19(21)3/h9-10,18,22-25,28-30H,3,6-8,11-17H2,1-2,4-5H3/b20-9+,21-10-/t22-,23-,24+,25-,26-,27-/m0/s1
InChIKeyVKWNWFUXGYTMCJ-KQQGDWFJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (11012668)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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,24R)-dihydroxyvitamin D3 (CHEBI:90985) has role human metabolite (CHEBI:77746)
(20S,24R)-dihydroxyvitamin D3 (CHEBI:90985) is a D3 vitamins (CHEBI:73558)
(20S,24R)-dihydroxyvitamin D3 (CHEBI:90985) is a hydroxycalciol (CHEBI:47042)
(20S,24R)-dihydroxyvitamin D3 (CHEBI:90985) is a triol (CHEBI:27136)
IUPAC Name 
(3S,5Z,7E,24R)-9,10-secocholesta-5,7,10-triene-3,20,24-triol
Synonym  Source
20S,24R(OH)2D3SUBMITTER
UniProt Name  Source
20S,24R-dihydroxycholecalciferolUniProt
Citations