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CHEBI:178628 - 24-(dimethoxyphosphoryl)-25,26,27-trinorvitamin D3 / 24-(dimethoxyphosphoryl)-25,26,27-trinorcholecalciferol

ChEBI IDCHEBI:178628
ChEBI Name24-(dimethoxyphosphoryl)-25,26,27-trinorvitamin D3 / 24-(dimethoxyphosphoryl)-25,26,27-trinorcholecalciferol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H43O4P
Net Charge0
Average Mass450.600
Monoisotopic Mass450.28990
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCP(=O)(OC)OC)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)CCC1=C
InChIInChI=1S/C26H43O4P/c1-19-10-13-23(27)18-22(19)12-11-21-9-6-16-26(3)24(14-15-25(21)26)20(2)8-7-17-31(28,29-4)30-5/h11-12,20,23-25,27H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,26-/m1/s1
InChIKeyRIPZEXCMHPWQRJ-OBGOKZPCSA-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)
24-(dimethoxyphosphoryl)-25,26,27-trinorvitamin D3 / 24-(dimethoxyphosphoryl)-25,26,27-trinorcholecalciferol (CHEBI:178628) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5-dimethoxyphosphorylpentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
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