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CHEBI:156183 - 16alpha,27-dihydroxycholesterol

ChEBI IDCHEBI:156183
ChEBI Name16alpha,27-dihydroxycholesterol
Stars
Submittermwilliams
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FormulaC27H46O3
Net Charge0
Average Mass418.662
Monoisotopic Mass418.34470
SMILES[H][C@]1([C@H](C)CCC[C@@H](C)CO)[C@H](O)C[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
InChIInChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)25-24(30)15-23-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h8,17-18,20-25,28-30H,5-7,9-16H2,1-4H3/t17-,18-,20+,21-,22+,23+,24-,25+,26+,27+/m1/s1
InChIKeyNUHIVWGZNPMOCV-MTFAWMJCSA-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)
16alpha,27-dihydroxycholesterol (CHEBI:156183) is a bile acid (CHEBI:3098)
IUPAC Name 
(3S,8S,9S,10R,13S,14S,16R,17R)-17-[(2R,6R)-7-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-3,16-diol
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