In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](10:0/20:4(7E,10E,13E,16E))
Systematic Name
1-decanoyl-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019ABN
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)
CLRCVEPPPDNTGF-UBIQRUSUSA-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/h7,9,12-13,15-16,18-19,31,34-39,42-45H,3-6,8,10-11,14,17,20-30H2,1-2H3,(H,49,50)(H2,46,47,48)/b9-7+,13-12+,16-15+,19-18+/t31-,34?,35?,36?,37?,38-,39+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCC)=O