In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](39:0/19:0)
Systematic Name
1-nonatriacontanoyl-2-nonadecanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019FKA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1414.831732
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
ZLDBJZBVLKNJPY-QONFDXICSA-N
InChi (Click to copy)
InChI=1S/C67H134O22P4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-43-45-47-49-51-53-55-60(68)83-57-59(85-61(69)56-54-52-50-48-46-44-41-20-18-16-14-12-10-8-6-4-2)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/h59,62-67,70-71H,3-58H2,1-2H3,(H,81,82)(H2,72,73,74)(H2,75,76,77)(H2,78,79,80)/t59-,62?,63?,64-,65+,66?,67?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCC)=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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O