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CHEBI:188265 - (20R)-24-Hydroxygeminivitamin D3

ChEBI IDCHEBI:188265
ChEBI Name(20R)-24-Hydroxygeminivitamin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H54O5
Net Charge0
Average Mass518.779
Monoisotopic Mass518.39712
SMILES[H][C@@]12CC[C@]([H])([C@H](CCCC(C)(C)O)CC[C@@H](O)C(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C32H54O5/c1-21-24(19-25(33)20-28(21)34)12-11-22-10-8-18-32(6)26(22)14-15-27(32)23(9-7-17-30(2,3)36)13-16-29(35)31(4,5)37/h11-12,23,25-29,33-37H,1,7-10,13-20H2,2-6H3/b22-11+,24-12-/t23-,25-,26+,27-,28+,29-,32+/m1/s1
InChIKeyUAKRHUPVCAWPPT-DBQRCUIGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
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)
(20R)-24-Hydroxygeminivitamin D3 (CHEBI:188265) is a vitamin D (CHEBI:27300)
IUPAC Name 
(3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethylundecane-2,3,10-triol
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