In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](10:0/16:1(9Z))
Systematic Name
1-decanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019AAK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
884.348949
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
QCMPNMAEYCOHBE-HSYHCVJRSA-N
InChi (Click to copy)
InChI=1S/C35H67O19P3/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-29(37)51-27(25-49-28(36)23-21-19-17-10-8-6-4-2)26-50-57(47,48)54-33-30(38)31(39)34(52-55(41,42)43)35(32(33)40)53-56(44,45)46/h12-13,27,30-35,38-40H,3-11,14-26H2,1-2H3,(H,47,48)(H2,41,42,43)(H2,44,45,46)/b13-12-/t27-,30?,31?,32?,33+,34?,35+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=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