In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](35:0/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-pentatriacontanoyl-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019PYG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1228.789516
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
WBWDGNIPZSKTGU-SQCKZIOWSA-N
InChi (Click to copy)
InChI=1S/C66H118O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-37-38-40-42-44-46-48-50-52-54-59(67)78-56-58(57-79-84(76,77)82-66-63(71)61(69)62(70)65(64(66)72)81-83(73,74)75)80-60(68)55-53-51-49-47-45-43-41-39-36-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,20,22,36,39,43,45,49,51,58,61-66,69-72H,3-5,7,9-11,13,15-19,21,23-35,37-38,40-42,44,46-48,50,52-57H2,1-2H3,(H,76,77)(H2,73,74,75)/b8-6-,14-12-,22-20+,39-36-,45-43-,51-49-/t58-,61-,62?,63?,64?,65?,66-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O