In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](18:1(9E)/24:1(15Z))
Systematic Name
1-(9E-octadecenoyl)-2-(15Z-tetracosenoyl)-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019MDG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1026.617366
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
VCQFSJIOHZTSIG-KECYNSNGSA-N
InChi (Click to copy)
InChI=1S/C51H96O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(53)65-43(41-63-44(52)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2)42-64-69(61,62)67-51-48(56)46(54)47(55)50(49(51)57)66-68(58,59)60/h17-19,25,43,46-51,54-57H,3-16,20-24,26-42H2,1-2H3,(H,61,62)(H2,58,59,60)/b19-17-,25-18+/t43-,46-,47?,48?,49?,50?,51-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCC/C=C/CCCCCCCC)=O