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CHEBI:90983 - (20S)-hydroxyvitamin D3

ChEBI IDCHEBI:90983
ChEBI Name(20S)-hydroxyvitamin D3
Stars
ASCII Name(20S)-hydroxyvitamin D3
DefinitionA hydroxycalciol that consists of vitamin D3 (calciol) carrying an additional hydroxy group at position 20 with S-configuration.
Last Modified21 March 2016
Submitternhn
DownloadsMolfile
FormulaC27H44O2
Net Charge0
Average Mass400.647
Monoisotopic Mass400.33413
SMILES[H][C@]1([C@@](C)(O)CCCC(C)C)CC[C@@]2([H])/C(=C/C=C3/C[C@@H](O)CCC3=C)CCC[C@]12C
InChIInChI=1S/C27H44O2/c1-19(2)8-6-17-27(5,29)25-15-14-24-21(9-7-16-26(24,25)4)11-12-22-18-23(28)13-10-20(22)3/h11-12,19,23-25,28-29H,3,6-10,13-18H2,1-2,4-5H3/b21-11+,22-12-/t23-,24-,25-,26-,27-/m0/s1
InChIKeyIQEQEOBGZMEDBQ-LBRHRNEPSA-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)-hydroxyvitamin D3 (CHEBI:90983) has role human metabolite (CHEBI:77746)
(20S)-hydroxyvitamin D3 (CHEBI:90983) is a D3 vitamins (CHEBI:73558)
(20S)-hydroxyvitamin D3 (CHEBI:90983) is a diol (CHEBI:23824)
(20S)-hydroxyvitamin D3 (CHEBI:90983) is a hydroxycalciol (CHEBI:47042)
IUPAC Name 
(3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,20-diol
Synonyms  Source
(20S)-hydroxycholecalciferolSUBMITTER
(20S)OHD3SUBMITTER
UniProt Name  Source
20S-hydroxycholecalciferolUniProt
Registry NumbersSources
Reaxys:20673695Reaxys
Citations