Structure Database (LMSD)
Common Name
Ergosta-5,7,22E,24(28)-tetraenol
Systematic Name
24-methylene-cholesta-5,7,22E-trien-3β-ol
Synonyms
3D model of Ergosta-5,7,22E,24(28)-tetraenol
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
String Representations
InChiKey (Click to copy)
SQFQJKZSFOZDJY-HDGIISFRSA-N
InChi (Click to copy)
InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18,20,22,24-26,29H,3,11-17H2,1-2,4-6H3/b8-7+/t20-,22+,24-,25?,26?,27+,28-/m1/s1
SMILES (Click to copy)
C12=CC=C3C[C@@H](O)CC[C@]3(C)C1CC[C@]1(C)[C@@]([H])([C@@](C)([H])/C=C/C(=C)C(C)C)CCC21
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
4
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
441.75
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
7.54
Molar Refractivity
123.97
Admin
Created at
-
Updated at
28th Apr 2021