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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cholesterol-2,2,3,4,4,6-d6
ChEBI ID CHEBI:140435
ChEBI ASCII Name cholesterol-2,2,3,4,4,6-d6
Definition A deuterated compound that is cholesterol in which the hydrogens at positions 2, 2, 3, 4, 4 and 6 are replaced by deuterium.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H46O
Net Charge 0
Average Mass 386.655
Monoisotopic Mass 470.44877
InChI InChI=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
InChIKey HVYWMOMLDIMFJA-HHPLMCQASA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(C)=C4C(C)(C)[C@@](C)(O)C(C)(C)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
ChEBI Ontology
Outgoing 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 Sources
(2,2,3,4,4,6-2H6)cholesterol ChEBI
3β-hydroxy-5-cholestene-2,2,3,4,4,5-d6 ChEBI
5-cholesten-3β-ol-2,2,3,4,4,5-d6 ChEBI
Manual Xref Database
17341111 ChemSpider
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Registry Number Type Source
92543-08-3 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
16969766 PubMed citation Europe PMC
18494504 PubMed citation Europe PMC
24012562 PubMed citation Europe PMC
27591043 PubMed citation Europe PMC
Last Modified
08 March 2021