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CHEBI:177662 - Lunacalcipol

ChEBI IDCHEBI:177662
ChEBI NameLunacalcipol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O4S
Net Charge0
Average Mass474.707
Monoisotopic Mass474.28038
SMILES[H][C@@]12CC=C([C@H](C)C/C=C/S(=O)(=O)C(C)(C)C)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C28H42O4S/c1-19(9-8-16-33(31,32)27(3,4)5)24-13-14-25-21(10-7-15-28(24,25)6)11-12-22-17-23(29)18-26(30)20(22)2/h8,11-13,16,19,23,25-26,29-30H,2,7,9-10,14-15,17-18H2,1,3-6H3/b16-8+,21-11+,22-12-/t19-,23-,25+,26+,28-/m1/s1
InChIKeyRFQHCLMGLJGZNV-UXXOMSPDSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
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)
Lunacalcipol (CHEBI:177662) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(E,2R)-5-tert-butylsulonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Manual XrefsDatabases
8847547ChemSpider
D09928KEGG DRUG
Registry NumbersSources
CAS:250384-82-8ChemIDplus