In-Silico Structure Database (LMISSD)
Common Name
PA(30:0/33:0)
Systematic Name
1-triacontanoyl-2-tritriacontanoyl-sn-glycero-3-phosphate
LM ID
LMGP10019E0P
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1082.958158
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphates [GP10]
Diacylglycerophosphates [GP1001]
String Representations
InChiKey (Click to copy)
SOHIAMCZITYTKB-YBWOAVOSSA-N
InChi (Click to copy)
InChI=1S/C66H131O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-66(68)74-64(63-73-75(69,70)71)62-72-65(67)60-58-56-54-52-50-48-46-44-42-40-38-36-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h64H,3-63H2,1-2H3,(H2,69,70,71)/t64-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O