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CHEBI:156182 - 22-Hydroxy Vitamin D4

ChEBI IDCHEBI:156182
ChEBI Name22-Hydroxy Vitamin D4
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FormulaC28H46O2
Net Charge0
Average Mass414.674
Monoisotopic Mass414.34978
SMILES[H][C@@]12CC[C@]([H])([C@H](C)[C@H](O)C[C@H](C)C(C)C)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)CCC1=C
InChIInChI=1S/C28H46O2/c1-18(2)20(4)16-27(30)21(5)25-13-14-26-22(8-7-15-28(25,26)6)10-11-23-17-24(29)12-9-19(23)3/h10-11,18,20-21,24-27,29-30H,3,7-9,12-17H2,1-2,4-6H3/b22-10+,23-11-/t20-,21-,24-,25+,26-,27+,28+/m0/s1
InChIKeyXSQPEDUIZLIJNM-WNDUGIHJSA-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)
22-Hydroxy Vitamin D4 (CHEBI:156182) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2S,3R,5S)-3-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
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