CHEBI:87044 - 4,4-dimethyl-5α-cholest-8-en-3β-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4,4-dimethyl-5α-cholest-8-en-3β-ol
ChEBI ID CHEBI:87044
ChEBI ASCII Name 4,4-dimethyl-5alpha-cholest-8-en-3beta-ol
Definition A cholestanoid that is 5α-cholesta-8-en-3β-ol bearing two additional methyl substituents at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter abridge
Secondary ChEBI IDs CHEBI:80173
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
more structures >>
Formula C29H50O
Net Charge 0
Average Mass 414.70670
Monoisotopic Mass 414.38617
InChI InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h19-20,22-23,25-26,30H,8-18H2,1-7H3/t20-,22-,23+,25+,26+,28-,29-/m1/s1
InChIKey FYHRVINOXYETMN-QGBOJXOESA-N
SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4,4-dimethyl-5α-cholest-8-en-3β-ol (CHEBI:87044) has role mouse metabolite (CHEBI:75771)
4,4-dimethyl-5α-cholest-8-en-3β-ol (CHEBI:87044) is a 3β-sterol (CHEBI:35348)
4,4-dimethyl-5α-cholest-8-en-3β-ol (CHEBI:87044) is a cholestanoid (CHEBI:50401)
4,4-dimethyl-5α-cholest-8-en-3β-ol (CHEBI:87044) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name
4,4-dimethyl-5α-cholest-8-en-3β-ol
Synonyms Sources
(3β,5α)-4,4-dimethylcholest-8-en-3-ol IUPAC
3β-hydroxy-4,4-dimethyl-8(9)-cholestene HMDB
3β-hydroxy-4,4-dimethylcholest-8(9)-ene HMDB
4,4-dimethyl-3β-hydroxy-8(9)-cholestene HMDB
4,4-dimethyl-3β-hydroxycholest-8(9)-ene HMDB
4,4-dimethyl-5α-cholest-8-en-3β-ol UniProt
4,4-dimethyl-5α-cholesta-8-en-3β-ol HMDB
4,4-dimethyl-8-cholesten-3β-ol ChEBI
4,4-dimethylcholest-8(9)-en-3β-ol HMDB
4,4-dimethylcholesta-8(9)-en-3β-ol HMDB
Manual Xrefs Databases
C15915 KEGG COMPOUND
HMDB0006840 HMDB
LMST01010225 LIPID MAPS
View more database links
Registry Numbers Types Sources
2338175 Reaxys Registry Number Reaxys
7240-15-5 CAS Registry Number ChemIDplus
Last Modified
27 January 2016