In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](18:2(9E,12E)/23:0)
Systematic Name
1-(9E,12E-octadecadienoyl)-2-tricosanoyl-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019MOX
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1012.601716
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
RATYAOVWUPZCTG-XVCAGMSLSA-N
InChi (Click to copy)
InChI=1S/C50H94O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-44(52)64-42(40-62-43(51)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2)41-63-68(60,61)66-50-47(55)45(53)46(54)49(48(50)56)65-67(57,58)59/h12,14,18,24,42,45-50,53-56H,3-11,13,15-17,19-23,25-41H2,1-2H3,(H,60,61)(H2,57,58,59)/b14-12+,24-18+/t42-,45-,46?,47?,48?,49?,50-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCC/C=C/C/C=C/CCCCC)=O