In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](O-14:0/10:0)
Systematic Name
1-tetradecyl-2-decanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08029AAA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
844.354034
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802]
String Representations
InChiKey (Click to copy)
VDGLDIDOQPKULH-OPCXGGCUSA-N
InChi (Click to copy)
InChI=1S/C33H67O18P3/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-46-24-26(48-27(34)22-20-18-16-10-8-6-4-2)25-47-54(44,45)51-31-28(35)29(36)32(49-52(38,39)40)33(30(31)37)50-53(41,42)43/h26,28-33,35-37H,3-25H2,1-2H3,(H,44,45)(H2,38,39,40)(H2,41,42,43)/t26-,28?,29?,30?,31+,32?,33+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COCCCCCCCCCCCCCC