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CHEBI:166798 - 1,25-Dihydroxycholesterol

ChEBI IDCHEBI:166798
ChEBI Name1,25-Dihydroxycholesterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O3
Net Charge0
Average Mass418.662
Monoisotopic Mass418.34470
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CC[C@@]1([H])C2CC=C2C[C@@H](O)C[C@H](O)[C@@]21C
InChIInChI=1S/C27H46O3/c1-17(7-6-13-25(2,3)30)21-10-11-22-20-9-8-18-15-19(28)16-24(29)27(18,5)23(20)12-14-26(21,22)4/h8,17,19-24,28-30H,6-7,9-16H2,1-5H3/t17-,19-,20?,21-,22+,23+,24+,26-,27+/m1/s1
InChIKeyWPCGHPRVQQXAMT-AIKXLYPVSA-N
ChEBI Ontology
Outgoing Relation(s)
1,25-Dihydroxycholesterol (CHEBI:166798) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(1S,3R,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol
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