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CHEBI:137133 - (5Z,7E)-(1R,2R,3R)-3-(hydroxy-propyl)-19-nor-9,10-seco-5,7-cholestadien-1,3,25-triol

ChEBI IDCHEBI:137133
ChEBI Name(5Z,7E)-(1R,2R,3R)-3-(hydroxy-propyl)-19-nor-9,10-seco-5,7-cholestadien-1,3,25-triol
Stars
ASCII Name(5Z,7E)-(1R,2R,3R)-3-(hydroxy-propyl)-19-nor-9,10-seco-5,7-cholestadien-1,3,25-triol
Last Modified25 May 2017
Submittermwilliams
DownloadsMolfile
FormulaC29H50O4
Net Charge0
Average Mass462.715
Monoisotopic Mass462.37091
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1C[C@@H](O)C(CCCO)[C@H](O)C1
InChIInChI=1S/C29H50O4/c1-20(8-5-15-28(2,3)33)24-13-14-25-22(9-6-16-29(24,25)4)12-11-21-18-26(31)23(10-7-17-30)27(32)19-21/h11-12,20,23-27,30-33H,5-10,13-19H2,1-4H3/b21-11-,22-12+/t20-,23+,24-,25+,26-,27-,29-/m1/s1
InChIKeyOETBDAZRINTQAP-SNUYCWBESA-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)-(1R,2R,3R)-3-(hydroxy-propyl)-19-nor-9,10-seco-5,7-cholestadien-1,3,25-triol (CHEBI:137133) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,2R,3R,5Z,7E,17β)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2-(3-hydroxypropyl)-9,10-secoestra-5,7-diene-1,3-diol