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CHEBI:156177 - (23S)-1-hydroxy-25,27-didehydrovitamin D3 26,23-lactone

ChEBI IDCHEBI:156177
ChEBI Name(23S)-1-hydroxy-25,27-didehydrovitamin D3 26,23-lactone
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FormulaC27H38O4
Net Charge0
Average Mass426.597
Monoisotopic Mass426.27701
SMILES[H][C@@]12CC[C@]([H])([C@H](C)C[C@H]3CC(=C)C(=O)O3)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C27H38O4/c1-16(12-22-13-17(2)26(30)31-22)23-9-10-24-19(6-5-11-27(23,24)4)7-8-20-14-21(28)15-25(29)18(20)3/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b19-7+,20-8-/t16-,21-,22+,23-,24+,25+,27-/m1/s1
InChIKeySAODSJHDCZTVAT-CZADFQNYSA-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)
(23S)-1-hydroxy-25,27-didehydrovitamin D3 26,23-lactone (CHEBI:156177) is a vitamin D (CHEBI:27300)
IUPAC Name 
(5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methylideneoxolan-2-one
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