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CHEBI:90984 - 20(S),25-dihydroxyvitamin D3

ChEBI IDCHEBI:90984
ChEBI Name20(S),25-dihydroxyvitamin D3
Stars
ASCII Name20(S),25-dihydroxyvitamin D3
DefinitionA hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 (with S-configuration) and 25.
Last Modified21 March 2016
Submitternhn
DownloadsMolfile
FormulaC27H44O3
Net Charge0
Average Mass416.646
Monoisotopic Mass416.32905
SMILES[H][C@]1([C@@](C)(O)CCCC(C)(C)O)CC[C@@]2([H])/C(=C/C=C3/C[C@@H](O)CCC3=C)CCC[C@]12C
InChIInChI=1S/C27H44O3/c1-19-9-12-22(28)18-21(19)11-10-20-8-6-16-26(4)23(20)13-14-24(26)27(5,30)17-7-15-25(2,3)29/h10-11,22-24,28-30H,1,6-9,12-18H2,2-5H3/b20-10+,21-11-/t22-,23-,24-,26-,27-/m0/s1
InChIKeyAXQUXCALTGAWTH-JOLZSRLISA-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)
20(S),25-dihydroxyvitamin D3 (CHEBI:90984) has role human metabolite (CHEBI:77746)
20(S),25-dihydroxyvitamin D3 (CHEBI:90984) is a D3 vitamins (CHEBI:73558)
20(S),25-dihydroxyvitamin D3 (CHEBI:90984) is a hydroxycalciol (CHEBI:47042)
20(S),25-dihydroxyvitamin D3 (CHEBI:90984) is a triol (CHEBI:27136)
IUPAC Name 
(3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,20,25-triol
Synonym  Source
20S,25(OH)2D3SUBMITTER
UniProt Name  Source
20S,25-dihydroxycholecalciferolUniProt
Registry NumbersSources
Reaxys:22571896Reaxys
Citations