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CHEBI:191269 - 11alpha-ethyl-1alpha,25-dihydroxyvitamin D3

ChEBI IDCHEBI:191269
ChEBI Name11alpha-ethyl-1alpha,25-dihydroxyvitamin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O3
Net Charge0
Average Mass444.700
Monoisotopic Mass444.36035
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)C[C@@H](CC)C/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C29H48O3/c1-7-21-15-23(11-10-22-16-24(30)17-27(31)20(22)3)26-13-12-25(29(26,6)18-21)19(2)9-8-14-28(4,5)32/h10-11,19,21,24-27,30-32H,3,7-9,12-18H2,1-2,4-6H3/b22-10-,23-11+/t19-,21+,24-,25-,26+,27+,29-/m1/s1
InChIKeyBNJQRWCYMKFGNS-AOFGDPGASA-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)
11alpha-ethyl-1alpha,25-dihydroxyvitamin D3 (CHEBI:191269) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,6S,7aR)-6-ethyl-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Manual XrefsDatabases
7826465ChemSpider
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