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CHEBI:192717 - Dihydroxycholesterol

ChEBI IDCHEBI:192717
ChEBI NameDihydroxycholesterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O3
Net Charge0
Average Mass418.662
Monoisotopic Mass418.34470
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C(O)O
InChIInChI=1S/C27H46O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,17-18,20-25,28-30H,5-7,9-16H2,1-4H3/t17-,18?,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKeyUSURYVONRGTVIF-AMQKJUDNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS3628)
ChEBI Ontology
Outgoing Relation(s)
Dihydroxycholesterol (CHEBI:192717) is a cholanoid (CHEBI:36078)
IUPAC Name 
(6R)-6-[(3S,8S,9S,10R,13R,14S,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-1,1-diol
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25940681ChemSpider