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CHEBI:95213 - (1S)-3-[2-[(3aS,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol

ChEBI IDCHEBI:95213
ChEBI Name(1S)-3-[2-[(3aS,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol
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DownloadsMolfile
FormulaC28H44O
Net Charge0
Average Mass396.659
Monoisotopic Mass396.33922
SMILESC=C1CC[C@H](O)CC1=CC=C1CCC[C@]2(C)C([C@H](C)C=C[C@H](C)C(C)C)CC[C@@H]12
InChIInChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/t20-,22+,25-,26?,27-,28+/m0/s1
InChIKeyMECHNRXZTMCUDQ-AUNAYUHPSA-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)
(1S)-3-[2-[(3aS,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol (CHEBI:95213) is a vitamin D (CHEBI:27300)
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