In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](18:3(9Z,12Z,15Z)/20:4(5E,8E,11E,14E))
Systematic Name
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019CAZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
960.476516
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
ALAHCPUAOWGRST-DQIOAEHOSA-N
InChi (Click to copy)
InChI=1S/C47H78O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)43(51)46(45(47)53)62-64(54,55)56/h6,8,11-14,17-19,21-22,24,28,30,39,42-47,50-53H,3-5,7,9-10,15-16,20,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b8-6-,13-11+,14-12-,19-17+,21-18-,24-22+,30-28+/t39-,42?,43?,44?,45?,46-,47+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O