In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](P-22:1(11Z)/38:0)
Systematic Name
1-(1Z,11Z-docosenyl)-2-octatriacontanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08039CIX
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1344.886134
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803]
String Representations
InChiKey (Click to copy)
NMZFNYHSRVOOBG-CJWXPRGPSA-N
InChi (Click to copy)
InChI=1S/C69H135O18P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-56-58-63(70)84-62(60-82-59-57-55-53-51-49-47-45-43-41-24-22-20-18-16-14-12-10-8-6-4-2)61-83-90(80,81)87-67-64(71)65(72)68(85-88(74,75)76)69(66(67)73)86-89(77,78)79/h22,24,57,59,62,64-69,71-73H,3-21,23,25-56,58,60-61H2,1-2H3,(H,80,81)(H2,74,75,76)(H2,77,78,79)/b24-22-,59-57-/t62-,64?,65+,66?,67-,68?,69?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CO/C=C\CCCCCCCC/C=C\CCCCCCCCCC