In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](30:0/18:4(9E,11E,13E,15E))
Systematic Name
1-triacontanoyl-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019EZI
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)
HRBOAVLIEOJFQF-XNCIQRCPSA-N
InChi (Click to copy)
InChI=1S/C57H104O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-50(58)69-47-49(71-51(59)46-44-42-40-38-36-34-31-18-16-14-12-10-8-6-4-2)48-70-75(67,68)73-57-54(62)52(60)53(61)56(55(57)63)72-74(64,65)66/h6,8,10,12,14,16,18,31,49,52-57,60-63H,3-5,7,9,11,13,15,17,19-30,32-48H2,1-2H3,(H,67,68)(H2,64,65,66)/b8-6+,12-10+,16-14+,31-18+/t49-,52?,53?,54?,55?,56-,57+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O