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

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ChEBI Name 20(S),25-dihydroxyvitamin D3
ChEBI ID CHEBI:90984
ChEBI ASCII Name 20(S),25-dihydroxyvitamin D3
Definition A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 (with S-configuration) and 25.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
Formula C27H44O3
Net Charge 0
Average Mass 416.637
Monoisotopic Mass 416.32905
InChI InChI=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
InChIKey AXQUXCALTGAWTH-JOLZSRLISA-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)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 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
Synonyms Sources
20S,25(OH)2D3 SUBMITTER
20S,25-dihydroxycholecalciferol UniProt
Registry Number Type Source
22571896 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
25727742 PubMed citation SUBMITTER
26367019 PubMed citation SUBMITTER
Last Modified
21 March 2016