Structure Database (LMSD)
Common Name
16:2-Glc-Campesterol
Systematic Name
3-O-(6'-O-(7Z,10Z-hexadecadienoyl)-β-D-glucopyranosyl)-campest-5-en-3β-ol
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 16:2-Glc-Campesterol
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
String Representations
InChiKey (Click to copy)
IPQQCLZMMCTVPF-OBAJMFFISA-N
InChi (Click to copy)
InChI=1S/C50H84O7/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-44(51)55-33-43-45(52)46(53)47(54)48(57-43)56-38-28-30-49(6)37(32-38)24-25-39-41-27-26-40(50(41,7)31-29-42(39)49)36(5)23-22-35(4)34(2)3/h12-13,15-16,24,34-36,38-43,45-48,52-54H,8-11,14,17-23,25-33H2,1-7H3/b13-12-,16-15-/t35-,36-,38+,39+,40-,41+,42+,43-,45-,46+,47-,48-,49+,50-/m1/s1
SMILES (Click to copy)
O(C[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2CC3=CC[C@@]4([H])[C@]5([H])CC[C@]([H])([C@@]([H])(CC[C@@H](C)C(C)C)C)[C@@]5(C)CC[C@]4([H])[C@@]3(C)CC2)O1)C(CCCCC/C=C\C/C=C\CCCCC)=O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
57
Rings
5
Aromatic Rings
0
Rotatable Bonds
22
Van der Waals Molecular Volume
862.73
Topological Polar Surface Area
107.52
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
logP
13.05
Molar Refractivity
233.79
Admin
Created at
-
Updated at
30th Aug 2021