Structure Database (LMSD)
Common Name
4,4-dimethylcholesta-8,14,24-trienol
Systematic Name
4,4-dimethyl-5α-cholesta-8,14,24-trien-3β-ol
Synonyms
- 4,4-dimethylcholesta-8,11,24-trien-3beta-ol
- FF-MAS
- Follicular fluid meiosis-activating sterol
3D model of 4,4-dimethylcholesta-8,14,24-trienol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Reactions
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References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Saccharomyces cerevisiae
(#4932)
Saccharomycetes
(#4891)
Interactions of the ergosterol biosynthetic pathway with other lipid pathways.,
Biochem Soc Trans, 2005
Biochem Soc Trans, 2005
Pubmed ID:
16246076
Rattus norvegicus
(#10116)
Mammalia
(#40674)
Sterol 14-demethylase P450 activity expressed in rat gonads: contribution to the formation of mammalian meiosis-activating sterol.,
Biochem Biophys Res Commun, 1996
Biochem Biophys Res Commun, 1996
Pubmed ID:
8687430
String Representations
InChiKey (Click to copy)
LFQXEZVYNCBVDO-PBJLWWPKSA-N
InChi (Click to copy)
InChI=1S/C29H46O/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/h9,13,20,22,25-26,30H,8,10-12,14-18H2,1-7H3/t20-,22-,25+,26+,28-,29-/m1/s1
SMILES (Click to copy)
C12CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)C=1CC[C@]1(C)[C@@]([H])([C@@](C)([H])CC/C=C(\C)/C)CC=C21
Other Databases
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
4
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
461.69
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
8.30
Molar Refractivity
128.75
Admin
Created at
-
Updated at
25th Nov 2022