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CHEBI:137140 - (5Z,7E,22E)-(1S,3R)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3-diol

ChEBI IDCHEBI:137140
ChEBI Name(5Z,7E,22E)-(1S,3R)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3-diol
Stars
ASCII Name(5Z,7E,22E)-(1S,3R)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3-diol
Last Modified26 May 2017
Submittermwilliams
DownloadsMolfile
FormulaC27H42O2
Net Charge0
Average Mass398.631
Monoisotopic Mass398.31848
SMILES[H][C@]1([C@]([H])(C)/C=C/CC(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/C27H42O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h6,9,11-12,18-19,23-26,28-29H,4,7-8,10,13-17H2,1-3,5H3/b9-6+,21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1
InChIKeyZSUIJCISCOHNAH-FTLHQLINSA-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,22E)-(1S,3R)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3-diol (CHEBI:137140) is a vitamin D (CHEBI:27300)
Synonyms  Source
(22E)-1α-hydroxy-22,23-didehydrovitamin D3LIPID MAPS
(22E)-1α-hydroxy-22,23-didehydrocholecalciferolLIPID MAPS
Manual XrefsDatabases
LMST03020148LIPID MAPS