CHEBI:172955 - Cholesterol_d7

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cholesterol_d7
ChEBI ID CHEBI:172955
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H39D7O
Net Charge 0
Average Mass 393.707
Monoisotopic Mass 393.39880
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/i1D3,2D3,18D
InChIKey HVYWMOMLDIMFJA-IFAPJKRJSA-N
SMILES O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C
Metabolite of Species Details
Reference compound Found in pure substance (CHEBI:60003). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing 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
Manual Xrefs Databases
4473448 ChemSpider
LMST01010093 LIPID MAPS
View more database links