CHEBI:90983 - (20S)-hydroxyvitamin D3

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ChEBI Name (20S)-hydroxyvitamin D3
ChEBI ID CHEBI:90983
ChEBI ASCII Name (20S)-hydroxyvitamin D3
Definition A hydroxycalciol that consists of vitamin D3 (calciol) carrying an additional hydroxy group at position 20 with S-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
Formula C27H44O2
Net Charge 0
Average Mass 400.638
Monoisotopic Mass 400.33413
InChI InChI=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
InChIKey IQEQEOBGZMEDBQ-LBRHRNEPSA-N
SMILES C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@](C)(CCCC(C)C)O)[H])[H])C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): 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.
(via vitamin D )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 Sources
(20S)-hydroxycholecalciferol SUBMITTER
(20S)OHD3 SUBMITTER
20S-hydroxycholecalciferol UniProt
Registry Number Type Source
20673695 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23295467 PubMed citation Europe PMC
25727742 PubMed citation SUBMITTER
26367019 PubMed citation SUBMITTER
26433048 PubMed citation Europe PMC
26970587 PubMed citation Europe PMC
26976974 PubMed citation Europe PMC
Last Modified
21 March 2016