CHEBI:91307 - (20S,23,24)-trihydroxyvitamin D3

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ChEBI Name (20S,23,24)-trihydroxyvitamin D3
ChEBI ID CHEBI:91307
ChEBI ASCII Name (20S,23,24)-trihydroxyvitamin D3
Definition A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 (with S-configuration), 23 and 24.
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(2)25(30)23(29)16-27(5,31)24-13-12-22-19(7-6-14-26(22,24)4)9-10-20-15-21(28)11-8-18(20)3/h9-10,17,21-25,28-31H,3,6-8,11-16H2,1-2,4-5H3/b19-9+,20-10-/t21-,22-,23?,24-,25?,26-,27-/m0/s1
InChIKey MRYORDBNMGSEIJ-DDVDNJBSSA-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(C(C(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,23,24)-trihydroxyvitamin D3 (CHEBI:91307) has role human metabolite (CHEBI:77746)
(20S,23,24)-trihydroxyvitamin D3 (CHEBI:91307) has role rat metabolite (CHEBI:86264)
(20S,23,24)-trihydroxyvitamin D3 (CHEBI:91307) is a D3 vitamins (CHEBI:73558)
(20S,23,24)-trihydroxyvitamin D3 (CHEBI:91307) is a hydroxycalciol (CHEBI:47042)
(20S,23,24)-trihydroxyvitamin D3 (CHEBI:91307) is a tetrol (CHEBI:33573)
IUPAC Name
(3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,20,23,24-tetrol
Synonyms Sources
20S,23,24(OH)3D3 SUBMITTER
20S,23,24-trihydroxycholecalciferol UniProt
20S,23,24-trihydroxyvitamin D3 ChEBI
Registry Number Type Source
28472928 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
25727742 PubMed citation SUBMITTER
Last Modified
17 May 2016