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CHEBI:166753 - 25-Hydroxyvitamin D2 25-(beta-glucuronide)

ChEBI IDCHEBI:166753
ChEBI Name25-Hydroxyvitamin D2 25-(beta-glucuronide)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52O8
Net Charge0
Average Mass588.782
Monoisotopic Mass588.36622
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)(C)OC3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)CCC1=C
InChIInChI=1S/C34H52O8/c1-19-10-14-24(35)18-23(19)13-12-22-8-7-17-34(6)25(15-16-26(22)34)20(2)9-11-21(3)33(4,5)42-32-29(38)27(36)28(37)30(41-32)31(39)40/h9,11-13,20-21,24-30,32,35-38H,1,7-8,10,14-18H2,2-6H3,(H,39,40)/b11-9+,22-12+,23-13-/t20-,21+,24+,25-,26+,27+,28+,29-,30+,32?,34-/m1/s1
InChIKeyMWEHQOJAQKGFMP-IZMSGZPRSA-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-Hydroxyvitamin D2 25-(beta-glucuronide) (CHEBI:166753) is a vitamin D (CHEBI:27300)
IUPAC Name 
(2S,3S,4S,5R)-6-[(E,3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0010360HMDB
7826200ChemSpider
LMST05010021LIPID MAPS