In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](10:0/17:2(9Z,12Z))
Systematic Name
1-decanoyl-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AAN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
976.315282
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
SQXKPRMYTDQEDV-YWIVQAPJSA-N
InChi (Click to copy)
InChI=1S/C36H68O22P4/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-30(38)54-28(26-52-29(37)24-22-20-18-10-8-6-4-2)27-53-62(50,51)58-33-31(39)34(55-59(41,42)43)36(57-61(47,48)49)35(32(33)40)56-60(44,45)46/h9,11,13-14,28,31-36,39-40H,3-8,10,12,15-27H2,1-2H3,(H,50,51)(H2,41,42,43)(H2,44,45,46)(H2,47,48,49)/b11-9-,14-13-/t28-,31?,32?,33-,34+,35?,36?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCC)=O