In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](15:0/22:2(13Z,16Z))
Systematic Name
1-pentadecanoyl-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019APM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
956.539116
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
VIGLWTBFDKPZNN-KILTUSMTSA-N
InChi (Click to copy)
InChI=1S/C46H86O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(48)60-38(36-58-39(47)34-32-30-28-26-24-16-14-12-10-8-6-4-2)37-59-64(56,57)62-46-43(51)41(49)42(50)45(44(46)52)61-63(53,54)55/h11,13,17-18,38,41-46,49-52H,3-10,12,14-16,19-37H2,1-2H3,(H,56,57)(H2,53,54,55)/b13-11-,18-17-/t38-,41?,42?,43?,44?,45-,46+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCCCCCCC)=O