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CHEBI:187508 - 25-Hydroxy-6,19-dihydro-6,19-ethanovitamin D3

ChEBI IDCHEBI:187508
ChEBI Name25-Hydroxy-6,19-dihydro-6,19-ethanovitamin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O2
Net Charge0
Average Mass428.701
Monoisotopic Mass428.36543
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C1C2=C(CCCC2)CC[C@@H]1O
InChIInChI=1S/C29H48O2/c1-20(9-7-17-28(2,3)31)25-14-15-26-22(11-8-18-29(25,26)4)19-24-23-12-6-5-10-21(23)13-16-27(24)30/h19-20,24-27,30-31H,5-18H2,1-4H3/b22-19+/t20-,24?,25-,26+,27+,29-/m1/s1
InChIKeyQFJUOTJDAYLASI-CFXULDKHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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-Hydroxy-6,19-dihydro-6,19-ethanovitamin D3 (CHEBI:187508) is a vitamin D (CHEBI:27300)
IUPAC Name 
(2S)-1-[(E)-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-2-ol
Manual XrefsDatabases
LMST03020673LIPID MAPS
24823383ChemSpider