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CHEBI:190383 - 1alpha,23R,25S,26-Tetrahydroxyvitamin D3

ChEBI IDCHEBI:190383
ChEBI Name1alpha,23R,25S,26-Tetrahydroxyvitamin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O5
Net Charge0
Average Mass448.644
Monoisotopic Mass448.31887
SMILES[H][C@@]12CC[C@]([H])([C@H](C)C[C@@H](O)C[C@](C)(O)CO)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C27H44O5/c1-17(12-22(30)15-26(3,32)16-28)23-9-10-24-19(6-5-11-27(23,24)4)7-8-20-13-21(29)14-25(31)18(20)2/h7-8,17,21-25,28-32H,2,5-6,9-16H2,1,3-4H3/b19-7+,20-8-/t17-,21-,22-,23-,24+,25+,26+,27-/m1/s1
InChIKeyQDZSTMXTBPCCGE-CSZOQDODSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
1alpha,23R,25S,26-Tetrahydroxyvitamin D3 (CHEBI:190383) is a vitamin D (CHEBI:27300)
IUPAC Name 
(2S,4R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2,4-triol
Manual XrefsDatabases
24823384ChemSpider
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