CHEBI:172976 - 27-nor-23,26,26-trimethyl-cholest-5-en-3beta-ol

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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 27-nor-23,26,26-trimethyl-cholest-5-en-3beta-ol
ChEBI ID CHEBI:172976
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H50O
Net Charge 0
Average Mass 414.718
Monoisotopic Mass 414.38617
InChI InChI=1S/C29H50O/c1-19(2)7-8-20(3)17-21(4)25-11-12-26-24-10-9-22-18-23(30)13-15-28(22,5)27(24)14-16-29(25,26)6/h9,19-21,23-27,30H,7-8,10-18H2,1-6H3/t20?,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey DISDDEOWDPJFQP-JZPCTHSZSA-N
SMILES O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CC(CCC(C)C)C)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in brain (BTO:0000142). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
ChEBI Ontology
Outgoing 27-nor-23,26,26-trimethyl-cholest-5-en-3beta-ol (CHEBI:172976) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
IUPAC Name
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4,7-dimethyloctan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual Xref Database
LMST01010306 LIPID MAPS
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Last Modified
17 January 2023