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CHEBI:137134 - (5Z,7E)-(1S,3R)-1,3-dihydroxy-9,10-seco-5,7,10(19)-cholestatrien-22-one

ChEBI IDCHEBI:137134
ChEBI Name(5Z,7E)-(1S,3R)-1,3-dihydroxy-9,10-seco-5,7,10(19)-cholestatrien-22-one
Stars
ASCII Name(5Z,7E)-(1S,3R)-1,3-dihydroxy-9,10-seco-5,7,10(19)-cholestatrien-22-one
Last Modified25 May 2017
Submittermwilliams
DownloadsMolfile
FormulaC27H42O3
Net Charge0
Average Mass414.630
Monoisotopic Mass414.31340
SMILES[H][C@]1([C@]([H])(C)C(=O)CCC(C)C)CC[C@@]2([H])/C(=C/C=C3/C[C@@H](O)C[C@H](O)C3=C)CCC[C@]12C
InChIInChI=1S/C27H42O3/c1-17(2)8-13-25(29)19(4)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)18(21)3/h9-10,17,19,22-24,26,28,30H,3,6-8,11-16H2,1-2,4-5H3/b20-9+,21-10-/t19-,22+,23+,24-,26-,27+/m0/s1
InChIKeyDXWGTJMCYINGNZ-IQSZEILRSA-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)
(5Z,7E)-(1S,3R)-1,3-dihydroxy-9,10-seco-5,7,10(19)-cholestatrien-22-one (CHEBI:137134) is a vitamin D (CHEBI:27300)
Synonyms  Source
1α-hydroxy-22-oxocholecalciferolLIPID MAPS
1α-hydroxy-22-oxovitamin D3LIPID MAPS
Manual XrefsDatabases
LMST03020159LIPID MAPS