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CHEBI:178538 - 2beta-methoxy-1alpha,25-dihydroxyvitamin D3

ChEBI IDCHEBI:178538
ChEBI Name2beta-methoxy-1alpha,25-dihydroxyvitamin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O4
Net Charge0
Average Mass446.672
Monoisotopic Mass446.33961
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)[C@@H](OC)[C@H](O)C1=C
InChIInChI=1S/C28H46O4/c1-18(9-7-15-27(3,4)31)22-13-14-23-20(10-8-16-28(22,23)5)11-12-21-17-24(29)26(32-6)25(30)19(21)2/h11-12,18,22-26,29-31H,2,7-10,13-17H2,1,3-6H3/b20-11+,21-12-/t18-,22-,23+,24-,25-,26-,28-/m1/s1
InChIKeyIYVWHAHWFGFFIF-ZWBLGGIOSA-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)
2beta-methoxy-1alpha,25-dihydroxyvitamin D3 (CHEBI:178538) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,2R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methoxy-4-methylidenecyclohexane-1,3-diol
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