CHEBI:78904 - 4,4-dimethyl-8,14-cholestadien-3β-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4,4-dimethyl-8,14-cholestadien-3β-ol
ChEBI ID CHEBI:78904
ChEBI ASCII Name 4,4-dimethyl-8,14-cholestadien-3beta-ol
Definition A cholestanoid that is 5α-cholesta-8,14-dien-3β-ol bearing two additional methyl substituents at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H48O
Net Charge 0
Average Mass 412.69080
Monoisotopic Mass 412.37052
InChI InChI=1S/C29H48O/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/h13,19-20,22,25-26,30H,8-12,14-18H2,1-7H3/t20-,22-,25+,26+,28-,29-/m1/s1
InChIKey OGQJUYXFIOFTMA-PBJLWWPKSA-N
SMILES CC(C)CCC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
ChEBI Ontology
Outgoing 4,4-dimethyl-8,14-cholestadien-3β-ol (CHEBI:78904) is a 3β-sterol (CHEBI:35348)
4,4-dimethyl-8,14-cholestadien-3β-ol (CHEBI:78904) is a cholestanoid (CHEBI:50401)
4,4-dimethyl-8,14-cholestadien-3β-ol (CHEBI:78904) is a tetracyclic triterpenoid (CHEBI:26893)
Incoming 4,4-dimethyl-8,14-cholestadien-3β-ol derivative (CHEBI:83391) has functional parent 4,4-dimethyl-8,14-cholestadien-3β-ol (CHEBI:78904)
IUPAC Name
4,4-dimethyl-5α-cholesta-8,14-dien-3β-ol
Synonyms Sources
(3β,5α)-4,4-dimethylcholesta-8,14-dien-3-ol IUPAC
4,4-Dimethyl-5alpha-cholesta-8,14-diene-3beta-ol ChemIDplus
4,4-dimethyl-8,14-cholestadien-3β-ol UniProt
4,4-Dimethylcholesta-8,14-dien-3-ol ChemIDplus
Manual Xrefs Databases
CPD-8609 MetaCyc
LMST01010277 LIPID MAPS
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Registry Numbers Types Sources
19456-83-8 CAS Registry Number ChemIDplus
3165163 Reaxys Registry Number Reaxys
Last Modified
27 April 2015