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CHEBI:180774 - (23S)-23,25-dihdroxy-24-oxovitamine D3 23-(beta-glucuronide)

ChEBI IDCHEBI:180774
ChEBI Name(23S)-23,25-dihdroxy-24-oxovitamine D3 23-(beta-glucuronide)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H50O10
Net Charge0
Average Mass606.753
Monoisotopic Mass606.34040
SMILES[H][C@@]12CC[C@]([H])([C@H](C)C[C@H](OC3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)CCC1=C
InChIInChI=1S/C33H50O10/c1-17-8-11-21(34)16-20(17)10-9-19-7-6-14-33(5)22(12-13-23(19)33)18(2)15-24(29(38)32(3,4)41)42-31-27(37)25(35)26(36)28(43-31)30(39)40/h9-10,18,21-28,31,34-37,41H,1,6-8,11-16H2,2-5H3,(H,39,40)/b19-9+,20-10-/t18-,21+,22-,23+,24+,25+,26+,27-,28+,31?,33-/m1/s1
InChIKeyUSYNZBLVOOXNSN-ARRWHRBTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
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)
(23S)-23,25-dihdroxy-24-oxovitamine D3 23-(beta-glucuronide) (CHEBI:180774) is a vitamin D (CHEBI:27300)
IUPAC Name 
(2S,3S,4S,5R)-6-[(4S,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-hydroxy-2-methyl-3-oxoheptan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0010361HMDB
LMST05010020LIPID MAPS
7826573ChemSpider