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CHEBI:140435 - cholesterol-2,2,3,4,4,6-d6

ChEBI IDCHEBI:140435
ChEBI Namecholesterol-2,2,3,4,4,6-d6
Stars
ASCII Namecholesterol-2,2,3,4,4,6-d6
DefinitionA deuterated compound that is cholesterol in which the hydrogens at positions 2, 2, 3, 4, 4 and 6 are replaced by deuterium.
Last Modified8 March 2021
Submittermwilliams
DownloadsMolfile
FormulaC33H58O
Net Charge0
Average Mass470.826
Monoisotopic Mass470.44877
SMILES[H][C@@]12CC(C)=C3C(C)(C)[C@@](C)(O)C(C)(C)C[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/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/i9D,13D2,17D2,21D
InChIKeyHVYWMOMLDIMFJA-HHPLMCQASA-N
ChEBI Ontology
Outgoing Relation(s)
cholesterol-2,2,3,4,4,6-d6 (CHEBI:140435) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
cholesterol-2,2,3,4,4,6-d6 (CHEBI:140435) is a C27-steroid (CHEBI:131619)
cholesterol-2,2,3,4,4,6-d6 (CHEBI:140435) is a cholestanoid (CHEBI:50401)
cholesterol-2,2,3,4,4,6-d6 (CHEBI:140435) is a deuterated compound (CHEBI:76107)
IUPAC Name 
(2,2,3,4,4,6-2H6)cholest-5-en-3β-ol
Synonyms  Source
3β-hydroxy-5-cholestene-2,2,3,4,4,5-d6ChEBI
5-cholesten-3β-ol-2,2,3,4,4,5-d6ChEBI
(2,2,3,4,4,6-2H6)cholesterolChEBI
Manual XrefsDatabases
17341111ChemSpider
Registry NumbersSources
CAS:92543-08-3ChEBI
Citations