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CHEBI:172955 - Cholesterol_d7

ChEBI IDCHEBI:172955
ChEBI NameCholesterol_d7
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SubmitterMetaboLights
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FormulaC27H39D7O
Net Charge0
Average Mass393.707
Monoisotopic Mass393.39880
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([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i1D3,2D3,18D
InChIKeyHVYWMOMLDIMFJA-IFAPJKRJSA-N
ChEBI Ontology
Outgoing Relation(s)
Cholesterol_d7 (CHEBI:172955) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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