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CHEBI:166749 - 1-Hydroxyvitamin D3 3-D-glucopyranoside

ChEBI IDCHEBI:166749
ChEBI Name1-Hydroxyvitamin D3 3-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H52O8
Net Charge0
Average Mass576.771
Monoisotopic Mass576.36622
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C[C@H](O)C1=C
InChIInChI=1S/C33H52O8/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-33(24,25)5)11-12-22-16-23(17-26(34)20(22)4)40-32-29(37)27(35)28(36)30(41-32)31(38)39/h11-12,18-19,23-30,32,34-37H,4,6-10,13-17H2,1-3,5H3,(H,38,39)/b21-11+,22-12-/t19-,23-,24-,25+,26+,27+,28+,29-,30+,32+,33-/m1/s1
InChIKeyHVQXEPIFQWOABC-IORSAUDJSA-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)
1-Hydroxyvitamin D3 3-D-glucopyranoside (CHEBI:166749) is a vitamin D (CHEBI:27300)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[(1R,3Z,5S)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylidenecyclohexyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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