CHEBI:166798 - 1,25-Dihydroxycholesterol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1,25-Dihydroxycholesterol
ChEBI ID CHEBI:166798
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H46O3
Net Charge 0
Average Mass 418.662
Monoisotopic Mass 418.34470
InChI InChI=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
InChIKey WPCGHPRVQQXAMT-AIKXLYPVSA-N
SMILES O[C@@H]1[C@@]2([C@@]3(C([C@]4([C@@]([C@](CC4)([C@@H](CCCC(O)(C)C)C)[H])(CC3)C)[H])CC=C2C[C@@H](O)C1)[H])C
ChEBI Ontology
Outgoing 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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