In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](18:4(6Z,9Z,12Z,15Z)/30:0)
Systematic Name
1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-triacontanoyl-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019CD3
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1106.679966
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
ZOHAIUMWCFBWFK-IBNPDGLFSA-N
InChi (Click to copy)
InChI=1S/C57H104O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-51(59)71-49(47-69-50(58)45-43-41-39-37-35-33-31-18-16-14-12-10-8-6-4-2)48-70-75(67,68)73-57-54(62)52(60)53(61)56(55(57)63)72-74(64,65)66/h6,8,12,14,18,31,35,37,49,52-57,60-63H,3-5,7,9-11,13,15-17,19-30,32-34,36,38-48H2,1-2H3,(H,67,68)(H2,64,65,66)/b8-6-,14-12-,31-18-,37-35-/t49-,52?,53?,54?,55?,56-,57+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O