In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](10:0/20:4(5E,8E,11E,14E))
Systematic Name
1-decanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019ABI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
854.398266
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
ZPGKNVGBFYHFSN-WLVINGMJSA-N
InChi (Click to copy)
InChI=1S/C39H68O16P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-33(41)53-31(29-51-32(40)27-25-23-21-10-8-6-4-2)30-52-57(49,50)55-39-36(44)34(42)35(43)38(37(39)45)54-56(46,47)48/h11-12,14-15,17-18,20,22,31,34-39,42-45H,3-10,13,16,19,21,23-30H2,1-2H3,(H,49,50)(H2,46,47,48)/b12-11+,15-14+,18-17+,22-20+/t31-,34?,35?,36?,37?,38-,39+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C/C/C=C/C/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(CCCCCCCCC)=O