In-Silico Structure Database (LMISSD)
Common Name
PA(18:2(9E,12E)/39:0)
Systematic Name
1-(9E,12E-octadecadienoyl)-2-nonatriacontanoyl-sn-glycero-3-phosphate
LM ID
LMGP10019B2T
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)
XLUMMEHOVQCPMZ-KEQIYHHXSA-N
InChi (Click to copy)
InChI=1S/C60H115O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-55-60(62)68-58(57-67-69(63,64)65)56-66-59(61)54-52-50-48-46-44-42-40-18-16-14-12-10-8-6-4-2/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C/C/C=C/CCCCC)=O