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CHEBI:166751 - 25-Hydroxy-26,27-dimethylvitamin D3

ChEBI IDCHEBI:166751
ChEBI Name25-Hydroxy-26,27-dimethylvitamin D3
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O2
Net Charge0
Average Mass428.701
Monoisotopic Mass428.36543
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(O)(CC)CC)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)CCC1=C
InChIInChI=1S/C29H48O2/c1-6-29(31,7-2)19-8-10-22(4)26-16-17-27-23(11-9-18-28(26,27)5)13-14-24-20-25(30)15-12-21(24)3/h13-14,22,25-27,30-31H,3,6-12,15-20H2,1-2,4-5H3/b23-13+,24-14-/t22-,25+,26-,27+,28-/m1/s1
InChIKeyBEYPISLTPLVAJI-YELRADRNSA-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)
25-Hydroxy-26,27-dimethylvitamin D3 (CHEBI:166751) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-ethyl-6-hydroxyoctan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
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