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CHEBI:91306 - (20S,23)-dihydroxyvitamin D3

ChEBI IDCHEBI:91306
ChEBI Name(20S,23)-dihydroxyvitamin D3
Stars
ASCII Name(20S,23)-dihydroxyvitamin D3
DefinitionA hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 (with S-configuration) and 23.
Last Modified17 May 2016
Submitternhn
DownloadsMolfile
FormulaC27H44O3
Net Charge0
Average Mass416.646
Monoisotopic Mass416.32905
SMILES[H][C@]1([C@@](C)(O)CC(O)CC(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)15-23(29)17-27(5,30)25-13-12-24-20(7-6-14-26(24,25)4)9-10-21-16-22(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
InChIKeyPFGAVEWICNHWDW-OZCLJXQISA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) - PubMed (25727742)
Homo sapiens (ncbitaxon:9606) - 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)-dihydroxyvitamin D3 (CHEBI:91306) has role human metabolite (CHEBI:77746)
(20S,23)-dihydroxyvitamin D3 (CHEBI:91306) has role rat metabolite (CHEBI:86264)
(20S,23)-dihydroxyvitamin D3 (CHEBI:91306) is a D3 vitamins (CHEBI:73558)
(20S,23)-dihydroxyvitamin D3 (CHEBI:91306) is a hydroxycalciol (CHEBI:47042)
(20S,23)-dihydroxyvitamin D3 (CHEBI:91306) is a triol (CHEBI:27136)
IUPAC Name 
(3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,20,23-triol
Synonyms  Source
20S,23(OH)2D3SUBMITTER
20S,23-dihydroxyvitamin D3ChEBI
UniProt Name  Source
20S,23-dihydroxycholecalciferolUniProt
Registry NumbersSources
Reaxys:20673696Reaxys
Citations