CHEBI:87395 - 1α,2β,25-trihydroxy vitamin D3

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ChEBI Name 1α,2β,25-trihydroxy vitamin D3
ChEBI ID CHEBI:87395
ChEBI ASCII Name 1alpha,2beta,25-trihydroxy vitamin D3
Definition A hydroxy seco-steroid that is calciol carrying three additional hydroxy substituents at positions 1α, 2β and 25.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
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Formula C27H44O4
Net Charge 0
Average Mass 432.63590
Monoisotopic Mass 432.32396
InChI InChI=1S/C27H44O4/c1-17(8-6-14-26(3,4)31)21-12-13-22-19(9-7-15-27(21,22)5)10-11-20-16-23(28)25(30)24(29)18(20)2/h10-11,17,21-25,28-31H,2,6-9,12-16H2,1,3-5H3/b19-10+,20-11-/t17-,21-,22+,23-,24-,25-,27-/m1/s1
InChIKey JGIYYEHLYUOKSD-FQKVRLMOSA-N
SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@@H](O)[C@H](O)C1=C
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
hormone
Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
(via steroid hormone )
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 )
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ChEBI Ontology
Outgoing 1α,2β,25-trihydroxy vitamin D3 (CHEBI:87395) has functional parent calciol (CHEBI:28940)
1α,2β,25-trihydroxy vitamin D3 (CHEBI:87395) has role human metabolite (CHEBI:77746)
1α,2β,25-trihydroxy vitamin D3 (CHEBI:87395) is a D3 vitamins (CHEBI:73558)
1α,2β,25-trihydroxy vitamin D3 (CHEBI:87395) is a hydroxy seco-steroid (CHEBI:36853)
1α,2β,25-trihydroxy vitamin D3 (CHEBI:87395) is a seco-cholestane (CHEBI:36818)
1α,2β,25-trihydroxy vitamin D3 (CHEBI:87395) is a secondary alcohol (CHEBI:35681)
1α,2β,25-trihydroxy vitamin D3 (CHEBI:87395) is a steroid hormone (CHEBI:26764)
1α,2β,25-trihydroxy vitamin D3 (CHEBI:87395) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(1R,2R,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,2,3,25-tetrol
Synonyms Sources
1α,2β,25(OH)3D3 ChEBI
1α,2β,25-(OH)3 cholecalciferol SUBMITTER
1α,2β,25-(OH)3 vitamin D3 SUBMITTER
1α,2β,25-trihydroxycholecalciferol UniProt
Registry Number Type Source
8957905 Reaxys Registry Number Reaxys
Last Modified
21 August 2015