In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))
Systematic Name
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019D2G
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
932.445216
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
MBSCJZRFYOGFQO-HYSRILLHSA-N
InChi (Click to copy)
InChI=1S/C45H74O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-23-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h5,7,10-13,16-17,19-20,22,24,27,29,37,40-45,48-51H,3-4,6,8-9,14-15,18,21,23,25-26,28,30-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-,29-27-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O