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CHEBI:137135 - (5Z,7E)-(1S,3R)-21-nor-20-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

ChEBI IDCHEBI:137135
ChEBI Name(5Z,7E)-(1S,3R)-21-nor-20-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
Stars
ASCII Name(5Z,7E)-(1S,3R)-21-nor-20-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
Last Modified25 May 2017
Submittermwilliams
DownloadsMolfile
FormulaC25H40O4
Net Charge0
Average Mass404.591
Monoisotopic Mass404.29266
SMILES[H][C@@]12CC[C@]([H])(OCCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C25H40O4/c1-17-19(15-20(26)16-22(17)27)9-8-18-7-5-13-25(4)21(18)10-11-23(25)29-14-6-12-24(2,3)28/h8-9,20-23,26-28H,1,5-7,10-16H2,2-4H3/b18-8+,19-9-/t20-,21+,22+,23+,25+/m1/s1
InChIKeyAOMQZQQKWZZTNV-OQGZJSIESA-N
ChEBI Ontology
Outgoing Relation(s)
(5Z,7E)-(1S,3R)-21-nor-20-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol (CHEBI:137135) is a steroid (CHEBI:35341)
Synonyms  Source
1α,25-dihydroxy-21-nor-20-oxacholecalciferolLIPID MAPS
1α,25-dihydroxy-21-nor-20-oxavitamin D3LIPID MAPS
Manual XrefsDatabases
LMST03020029LIPID MAPS