In-Silico Structure Database (LMISSD)
Common Name
PI(39:0/18:1(17Z))
Systematic Name
1-nonatriacontanoyl-2-(13Z-octadecenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06019FJU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1158.901433
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
Diacylglycerophosphoinositols [GP0601]
String Representations
InChiKey (Click to copy)
VBCVPVHYLGQLQE-IGCZOSFJSA-N
InChi (Click to copy)
InChI=1S/C66H127O13P/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(67)76-56-58(57-77-80(74,75)79-66-64(72)62(70)61(69)63(71)65(66)73)78-60(68)55-53-51-49-47-45-43-40-18-16-14-12-10-8-6-4-2/h4,58,61-66,69-73H,2-3,5-57H2,1H3,(H,74,75)/t58-,61?,62-,63?,64?,65?,66-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCC=C)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O