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CHEBI:191270 - (24R)-1alpha,24,25-trihydroxy-22-oxavitamin D3

ChEBI IDCHEBI:191270
ChEBI Name(24R)-1alpha,24,25-trihydroxy-22-oxavitamin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O5
Net Charge0
Average Mass434.617
Monoisotopic Mass434.30322
SMILES[H][C@@]12CC[C@]([H])([C@H](C)OC[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/C26H42O5/c1-16-19(13-20(27)14-23(16)28)9-8-18-7-6-12-26(5)21(10-11-22(18)26)17(2)31-15-24(29)25(3,4)30/h8-9,17,20-24,27-30H,1,6-7,10-15H2,2-5H3/b18-8+,19-9-/t17-,20+,21+,22-,23-,24+,26+/m0/s1
InChIKeyXKJQTLNBRNWUQP-IZMFSRRRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
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)
(24R)-1alpha,24,25-trihydroxy-22-oxavitamin D3 (CHEBI:191270) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-[(2R)-2,3-dihydroxy-3-methylbutoxy]ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Manual XrefsDatabases
7826257ChemSpider
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