In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](17:2(9Z,12Z)/20:2(5Z,8Z))
Systematic Name
1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z-eicosadienoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019A5E
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
952.507816
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
XLBPZRKVLVOJQR-KXXRJUBMSA-N
InChi (Click to copy)
InChI=1S/C46H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)60-38(36-58-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2)37-59-64(56,57)62-46-43(51)41(49)42(50)45(44(46)52)61-63(53,54)55/h10,12,16,18,21,23,27,29,38,41-46,49-52H,3-9,11,13-15,17,19-20,22,24-26,28,30-37H2,1-2H3,(H,56,57)(H2,53,54,55)/b12-10-,18-16-,23-21-,29-27-/t38-,41?,42?,43?,44?,45-,46+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O