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CHEBI:166750 - (20S)-1alpha,20,25-Trihydroxyvitamin D3

ChEBI IDCHEBI:166750
ChEBI Name(20S)-1alpha,20,25-Trihydroxyvitamin D3
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O4
Net Charge0
Average Mass432.645
Monoisotopic Mass432.32396
SMILES[H][C@]1([C@@](C)(O)CCCC(C)(C)O)CC[C@@]2([H])/C(=C/C=C3/C[C@@H](O)C[C@H](O)C3=C)CCC[C@]12C
InChIInChI=1S/C27H44O4/c1-18-20(16-21(28)17-23(18)29)10-9-19-8-6-14-26(4)22(19)11-12-24(26)27(5,31)15-7-13-25(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+/m1/s1
InChIKeyXIVGHFZETSYMIB-DACLUIDISA-N
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)
(20S)-1alpha,20,25-Trihydroxyvitamin D3 (CHEBI:166750) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(2S)-2,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
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4446843ChemSpider
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