CHEBI:90970 - 1α,23(S),25-trihydroxyvitamin D3

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ChEBI Name 1α,23(S),25-trihydroxyvitamin D3
ChEBI ID CHEBI:90970
ChEBI ASCII Name 1alpha,23(S),25-trihydroxyvitamin D3
Definition A hydroxycalciol that consists of vitamin D3 (calciol) bearing additional hydroxy substituents at positions 1, 23 and 25 (with 1α,23S-configuration). An intermediate in the degradation pathway of 1α,25-(OH)2D3.
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/c1-17(13-22(29)16-26(3,4)31)23-10-11-24-19(7-6-12-27(23,24)5)8-9-20-14-21(28)15-25(30)18(20)2/h8-9,17,21-25,28-31H,2,6-7,10-16H2,1,3-5H3/b19-8+,20-9-/t17-,21-,22+,23-,24+,25+,27-/m1/s1
InChIKey NHRGJVVEKNHIIE-KWJCNBFNSA-N
SMILES C1[C@]2([C@](/C(=C/C=C/3\C([C@H](C[C@@H](C3)O)O)=C)/CC1)(CC[C@@]2([C@H](C)C[C@@H](CC(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 )
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ChEBI Ontology
Outgoing 1α,23(S),25-trihydroxyvitamin D3 (CHEBI:90970) has functional parent calciol (CHEBI:28940)
1α,23(S),25-trihydroxyvitamin D3 (CHEBI:90970) has role human metabolite (CHEBI:77746)
1α,23(S),25-trihydroxyvitamin D3 (CHEBI:90970) is a D3 vitamins (CHEBI:73558)
1α,23(S),25-trihydroxyvitamin D3 (CHEBI:90970) is a hydroxy seco-steroid (CHEBI:36853)
1α,23(S),25-trihydroxyvitamin D3 (CHEBI:90970) is a hydroxycalciol (CHEBI:47042)
1α,23(S),25-trihydroxyvitamin D3 (CHEBI:90970) is a tetrol (CHEBI:33573)
IUPAC Name
(1S,3R,5Z,7E,23S)-9,10-secocholesta-5,7,10-triene-1,3,23,25-tetrol
Synonyms Sources
1,23,25-Trihydroxycholecalciferol ChemIDplus
1,23,25-Trihydroxyvitamin D3 ChemIDplus
1α,23S,25-(OH)3D3 SUBMITTER
1α,23S,25-trihydroxy vitamin D3 SUBMITTER
1α,23S,25-trihydroxycholecalciferol UniProt
Registry Numbers Types Sources
86701-33-9 CAS Registry Number ChemIDplus
8813277 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16617161 PubMed citation SUBMITTER
17646648 PubMed citation SUBMITTER
6323135 PubMed citation Europe PMC
6548386 PubMed citation Europe PMC
6688522 PubMed citation Europe PMC
Last Modified
03 March 2016