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CHEBI:137141 - (7E)-(1S,3R,6R)-6,19-epidioxy-9,10-seco-5(10),7-cholestadiene-1,3-diol

ChEBI IDCHEBI:137141
ChEBI Name(7E)-(1S,3R,6R)-6,19-epidioxy-9,10-seco-5(10),7-cholestadiene-1,3-diol
Stars
ASCII Name(7E)-(1S,3R,6R)-6,19-epidioxy-9,10-seco-5(10),7-cholestadiene-1,3-diol
Last Modified26 May 2017
Submittermwilliams
DownloadsMolfile
FormulaC27H44O4
Net Charge0
Average Mass432.645
Monoisotopic Mass432.32396
SMILES[H][C@]1([C@]([H])(C)CCCC(C)C)CC[C@@]2([H])/C(=C/[C@@]3([H])OOCC4=C3C[C@@H](O)C[C@@H]4O)CCC[C@]12C
InChIInChI=1S/C27H44O4/c1-17(2)7-5-8-18(3)23-10-11-24-19(9-6-12-27(23,24)4)13-26-21-14-20(28)15-25(29)22(21)16-30-31-26/h13,17-18,20,23-26,28-29H,5-12,14-16H2,1-4H3/b19-13+/t18-,20-,23-,24+,25+,26-,27-/m1/s1
InChIKeyJHRNDQFGELFISF-YHQHOCHFSA-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)
(7E)-(1S,3R,6R)-6,19-epidioxy-9,10-seco-5(10),7-cholestadiene-1,3-diol (CHEBI:137141) is a vitamin D (CHEBI:27300)
Synonyms  Source
(6R)-6,19-epidioxy-1aα-hydroxy-6,19-dihydrocholecalciferolLIPID MAPS
(6R)-6,19-epidioxy-1α-hydroxy-6,19-dihydrovitamin D3LIPID MAPS
Manual XrefsDatabases
LMST03020277LIPID MAPS