In-Silico Structure Database (LMISSD)

Common Name
DG(14:1(9Z)/16:1(9Z)/0:0)
Systematic Name
1-(9Z-tetradecenoyl)-2-(9Z-hexadecenoyl)-sn-glycerol
LM ID
LMGL02010403
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
536.444075
Formula
C33H60O5
Predict MS/MS spectrum ([M+NH4]+)
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MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Glycerolipids [GL]
Diradylglycerols [GL02]
Diacylglycerols [GL0201]

String Representations

InChiKey (Click to copy)
MMXVUIXFSQFCJO-VMNLQMMRSA-N
InChi (Click to copy)
InChI=1S/C33H60O5/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(36)38-31(29-34)30-37-32(35)27-25-23-21-19-17-14-12-10-8-6-4-2/h10,12-13,15,31,34H,3-9,11,14,16-30H2,1-2H3/b12-10-,15-13-/t31-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O

References

Other Databases

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 612.85
Topological Polar Surface Area 72.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 10.02
Molar Refractivity 160.62