In-Silico Structure Database (LMISSD)

Common Name
PA(15:1(9Z)/26:2(5E,9Z))
Systematic Name
1-(9Z-pentadecenoyl)-2-(5Z,9E-hexacosadienoyl)-sn-glycero-3-phosphate
LM ID
LMGP10019ASA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
768.566908
Formula
C44H81O8P
Predict MS/MS spectrum (Neg. Mode)
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MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
Diacylglycerophosphates [GP1001]

String Representations

InChiKey (Click to copy)
BJKBLGWZIVKMOP-DPTIMHHGSA-N
InChi (Click to copy)
InChI=1S/C44H81O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-44(46)52-42(41-51-53(47,48)49)40-50-43(45)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h12,14,25-26,31,33,42H,3-11,13,15-24,27-30,32,34-41H2,1-2H3,(H2,47,48,49)/b14-12-,26-25-,33-31+/t42-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCC)=O

References

Other Databases