In-Silico Structure Database (LMISSD)
Common Name
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/39:0)
Systematic Name
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-nonatriacontanoyl-sn-glycero-3-phosphocholine
LM ID
LMGP01019D4L
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1127.922107
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphocholines [GP01]
Diacylglycerophosphocholines [GP0101]
String Representations
InChiKey (Click to copy)
AVJHPAPVBAFQQX-QHJSDMDESA-N
InChi (Click to copy)
InChI=1S/C69H126NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-50-52-54-56-58-60-62-69(72)78-67(66-77-79(73,74)76-64-63-70(3,4)5)65-75-68(71)61-59-57-55-53-51-49-47-45-43-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,43,45,49,51,55,57,67H,6-8,10,12-14,16,18-20,22,24-42,44,46-48,50,52-54,56,58-66H2,1-5H3/b11-9-,17-15-,23-21-,45-43-,51-49-,57-55-/t67-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O