In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](10:0/13:0)
Systematic Name
1-decanoyl-2-tridecanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019AAD
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
844.317649
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
CYRXWEWWOSZAGP-JLKKDFRPSA-N
InChi (Click to copy)
InChI=1S/C32H63O19P3/c1-3-5-7-9-11-12-13-15-17-19-21-26(34)48-24(22-46-25(33)20-18-16-14-10-8-6-4-2)23-47-54(44,45)51-30-27(35)28(36)31(49-52(38,39)40)32(29(30)37)50-53(41,42)43/h24,27-32,35-37H,3-23H2,1-2H3,(H,44,45)(H2,38,39,40)(H2,41,42,43)/t24-,27?,28?,29?,30+,31?,32+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCC)=O