CHEBI:91308 - (20S,23,25)-trihydroxyvitamin D3

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ChEBI Name (20S,23,25)-trihydroxyvitamin D3
ChEBI ID CHEBI:91308
ChEBI ASCII Name (20S,23,25)-trihydroxyvitamin D3
Definition A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 (with S-configuration), 23 and 25.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
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Formula C27H44O4
Net Charge 0
Average Mass 432.637
Monoisotopic Mass 432.32396
InChI InChI=1S/C27H44O4/c1-18-8-11-21(28)15-20(18)10-9-19-7-6-14-26(4)23(19)12-13-24(26)27(5,31)17-22(29)16-25(2,3)30/h9-10,21-24,28-31H,1,6-8,11-17H2,2-5H3/b19-9+,20-10-/t21-,22?,23-,24-,26-,27-/m0/s1
InChIKey NFZNZUWOOKEBKC-GRHFVJACSA-N
SMILES C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@](C)(CC(CC(C)(C)O)O)O)[H])[H])C
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) See: PubMed
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).
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.
(via vitamin D )
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ChEBI Ontology
Outgoing (20S,23,25)-trihydroxyvitamin D3 (CHEBI:91308) has role human metabolite (CHEBI:77746)
(20S,23,25)-trihydroxyvitamin D3 (CHEBI:91308) has role rat metabolite (CHEBI:86264)
(20S,23,25)-trihydroxyvitamin D3 (CHEBI:91308) is a D3 vitamins (CHEBI:73558)
(20S,23,25)-trihydroxyvitamin D3 (CHEBI:91308) is a hydroxycalciol (CHEBI:47042)
(20S,23,25)-trihydroxyvitamin D3 (CHEBI:91308) is a tetrol (CHEBI:33573)
IUPAC Name
(3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,20,23,25-tetrol
Synonyms Sources
20S,23,25(OH)3D3 SUBMITTER
20S,23,25-trihydroxycholecalciferol UniProt
Registry Number Type Source
28472927 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
25727742 PubMed citation SUBMITTER
Last Modified
17 May 2016