CHEBI:91306 - (20S,23)-dihydroxyvitamin D3

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ChEBI Name (20S,23)-dihydroxyvitamin D3
ChEBI ID CHEBI:91306
ChEBI ASCII Name (20S,23)-dihydroxyvitamin D3
Definition A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 (with S-configuration) and 23.
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/c1-18(2)15-23(29)17-27(5,30)25-13-12-24-20(7-6-14-26(24,25)4)9-10-21-16-22(28)11-8-19(21)3/h9-10,18,22-25,28-30H,3,6-8,11-17H2,1-2,4-5H3/b20-9+,21-10-/t22-,23?,24-,25-,26-,27-/m0/s1
InChIKey PFGAVEWICNHWDW-OZCLJXQISA-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)[H])[H])C
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) See: PubMed
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
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 (20S,23)-dihydroxyvitamin D3 (CHEBI:91306) has role human metabolite (CHEBI:77746)
(20S,23)-dihydroxyvitamin D3 (CHEBI:91306) has role rat metabolite (CHEBI:86264)
(20S,23)-dihydroxyvitamin D3 (CHEBI:91306) is a D3 vitamins (CHEBI:73558)
(20S,23)-dihydroxyvitamin D3 (CHEBI:91306) is a hydroxycalciol (CHEBI:47042)
(20S,23)-dihydroxyvitamin D3 (CHEBI:91306) is a triol (CHEBI:27136)
IUPAC Name
(3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,20,23-triol
Synonyms Sources
20S,23(OH)2D3 SUBMITTER
20S,23-dihydroxycholecalciferol UniProt
20S,23-dihydroxyvitamin D3 ChEBI
Registry Number Type Source
20673696 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
25727742 PubMed citation SUBMITTER
Last Modified
17 May 2016