In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](11:0/36:0)
Systematic Name
1-undecanoyl-2-hexatriacontanoyl-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019AES
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1100.726916
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
QSDLPPIXNOCUBD-GVSANOIWSA-N
InChi (Click to copy)
InChI=1S/C56H110O16P2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-50(58)70-48(46-68-49(57)44-42-40-38-12-10-8-6-4-2)47-69-74(66,67)72-56-53(61)51(59)52(60)55(54(56)62)71-73(63,64)65/h48,51-56,59-62H,3-47H2,1-2H3,(H,66,67)(H2,63,64,65)/t48-,51?,52?,53?,54?,55-,56+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCCC)=O