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CHEBI:178015 - 1alpha-Hydroxy-21-nor-20-oxavitamin D3

ChEBI IDCHEBI:178015
ChEBI Name1alpha-Hydroxy-21-nor-20-oxavitamin D3
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FormulaC25H40O3
Net Charge0
Average Mass388.592
Monoisotopic Mass388.29775
SMILES[H][C@@]12CC[C@H](OCCCC(C)C)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C25H40O3/c1-17(2)7-6-14-28-24-12-11-22-19(8-5-13-25(22,24)4)9-10-20-15-21(26)16-23(27)18(20)3/h9-10,17,21-24,26-27H,3,5-8,11-16H2,1-2,4H3/b19-9+,20-10-/t21-,22+,23+,24+,25+/m1/s1
InChIKeyQWGDZWGWMIPRQO-CFNSAOOPSA-N
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)
1alpha-Hydroxy-21-nor-20-oxavitamin D3 (CHEBI:178015) is a vitamin D (CHEBI:27300)
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