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CHEBI:166804 - 25,27-Dihydroxycholesterol

ChEBI IDCHEBI:166804
ChEBI Name25,27-Dihydroxycholesterol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O3
Net Charge0
Average Mass418.662
Monoisotopic Mass418.34470
SMILES[H][C@]1([C@H](C)CCCC(C)(O)CO)CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/C27H46O3/c1-18(6-5-13-25(2,30)17-28)22-9-10-23-21-8-7-19-16-20(29)11-14-26(19,3)24(21)12-15-27(22,23)4/h7,18,20-24,28-30H,5-6,8-17H2,1-4H3/t18-,20+,21?,22-,23?,24?,25?,26+,27-/m1/s1
InChIKeyWYLBDLGJLBJKSV-YVDNJGCPSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
25,27-Dihydroxycholesterol (CHEBI:166804) is a bile acid (CHEBI:3098)
IUPAC Name 
(6R)-6-[(3S,10R,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-1,2-diol
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