In-Silico Structure Database (LMISSD)
Common Name
PIP[4'](24:4(5Z,8Z,11Z,14Z)/33:0)
Systematic Name
1-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-2-tritriacontanoyl-sn-glycero-3-phosphoinositol-4-phosphate
LM ID
LMGP07019JO0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1232.820816
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
KEUKILOVVQFTJY-RVWXSEQYSA-N
InChi (Click to copy)
InChI=1S/C66H122O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-49-51-53-55-60(68)80-58(57-79-84(76,77)82-66-63(71)61(69)65(62(70)64(66)72)81-83(73,74)75)56-78-59(67)54-52-50-48-46-44-42-40-38-36-34-24-22-20-18-16-14-12-10-8-6-4-2/h20,22,34,36,40,42,46,48,58,61-66,69-72H,3-19,21,23-33,35,37-39,41,43-45,47,49-57H2,1-2H3,(H,76,77)(H2,73,74,75)/b22-20-,36-34-,42-40-,48-46-/t58-,61+,62?,63?,64?,65?,66-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(O)C1O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O