In-Silico Structure Database (LMISSD)
Common Name
PA(20:3(8Z,11Z,14Z)/39:0)
Systematic Name
1-(8Z,11Z,14Z-eicosatrienoyl)-2-nonatriacontanoyl-sn-glycero-3-phosphate
LM ID
LMGP10019C3P
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1020.848608
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
Diacylglycerophosphates [GP1001]
String Representations
InChiKey (Click to copy)
SLIFNBJNOBAOND-RIUDXSNHSA-N
InChi (Click to copy)
InChI=1S/C62H117O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-55-57-62(64)70-60(59-69-71(65,66)67)58-68-61(63)56-54-52-50-48-46-44-42-40-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,42,44,60H,3-11,13,15-17,19,21-41,43,45-59H2,1-2H3,(H2,65,66,67)/b14-12-,20-18-,44-42-/t60-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O