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CHEBI:166762 - Cholesterol glucuronide

ChEBI IDCHEBI:166762
ChEBI NameCholesterol glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H54O7
Net Charge0
Average Mass562.788
Monoisotopic Mass562.38695
SMILES[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C
InChIInChI=1S/C33H54O7/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(13-15-32(20,4)25(22)14-16-33(23,24)5)39-31-28(36)26(34)27(35)29(40-31)30(37)38/h9,18-19,21-29,31,34-36H,6-8,10-17H2,1-5H3,(H,37,38)/t19-,21+,22+,23-,24+,25+,26+,27+,28-,29+,31-,32+,33-/m1/s1
InChIKeyIJLBJBCDNYOWPJ-MVMUGOIMSA-N
ChEBI Ontology
Outgoing Relation(s)
Cholesterol glucuronide (CHEBI:166762) is a steroid glucosiduronic acid (CHEBI:26763)
IUPAC Name 
(2S,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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