In-Silico Structure Database (LMISSD)
Common Name
PA(36:0/21:0)
Systematic Name
1-hexatriacontanoyl-2-heneicosanoyl-sn-glycero-3-phosphate
LM ID
LMGP10019FDU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
998.864258
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
Diacylglycerophosphates [GP1001]
String Representations
InChiKey (Click to copy)
RKHPDGNEHCQUGV-QPUWJJAWSA-N
InChi (Click to copy)
InChI=1S/C60H119O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-40-42-44-46-48-50-52-54-59(61)66-56-58(57-67-69(63,64)65)68-60(62)55-53-51-49-47-45-43-41-38-22-20-18-16-14-12-10-8-6-4-2/h58H,3-57H2,1-2H3,(H2,63,64,65)/t58-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O