In-Silico Structure Database (LMISSD)
Common Name
PA(39:0/18:2(9Z,12Z))
Systematic Name
1-nonatriacontanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate
LM ID
LMGP10019FJ5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
994.832958
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
Diacylglycerophosphates [GP1001]
String Representations
InChiKey (Click to copy)
GCLRSIYRAFZWJN-XASUAVNHSA-N
InChi (Click to copy)
InChI=1S/C60H115O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-54-59(61)66-56-58(57-67-69(63,64)65)68-60(62)55-53-51-49-47-45-43-40-18-16-14-12-10-8-6-4-2/h12,14,18,40,58H,3-11,13,15-17,19-39,41-57H2,1-2H3,(H2,63,64,65)/b14-12-,40-18-/t58-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O