In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](36:0/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-hexatriacontanoyl-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019FD1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1402.737832
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
LPPUMZQQSSMMNL-PINARUKRSA-N
InChi (Click to copy)
InChI=1S/C67H122O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-39-41-43-45-47-49-51-53-55-60(68)83-57-59(85-61(69)56-54-52-50-48-46-44-42-40-37-22-20-18-16-14-12-10-8-6-4-2)58-84-93(81,82)89-64-62(70)65(86-90(72,73)74)67(88-92(78,79)80)66(63(64)71)87-91(75,76)77/h6,8,12,14,20,22,37,40,44,46,50,52,59,62-67,70-71H,3-5,7,9-11,13,15-19,21,23-36,38-39,41-43,45,47-49,51,53-58H2,1-2H3,(H,81,82)(H2,72,73,74)(H2,75,76,77)(H2,78,79,80)/b8-6-,14-12-,22-20+,40-37-,46-44-,52-50-/t59-,62?,63?,64-,65+,66?,67?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O