In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](11:0/35:0)
Systematic Name
1-undecanoyl-2-pentatriacontanoyl-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019AER
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1086.711266
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
DPPILROWJQUAAC-FFPIXHSDSA-N
InChi (Click to copy)
InChI=1S/C55H108O16P2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-49(57)69-47(45-67-48(56)43-41-39-37-12-10-8-6-4-2)46-68-73(65,66)71-55-52(60)50(58)51(59)54(53(55)61)70-72(62,63)64/h47,50-55,58-61H,3-46H2,1-2H3,(H,65,66)(H2,62,63,64)/t47-,50?,51?,52?,53?,54-,55+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCCC)=O