In-Silico Structure Database (LMISSD)
Common Name
PI(P-14:0/20:4(7E,10E,13E,16E))
Systematic Name
1-(1Z-tetradecenyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06039DES
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
814.499618
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-(1Z-alkenyl),2-acylglycerophosphoinositols [GP0603]
String Representations
InChiKey (Click to copy)
OJLQASPAUKEMHY-VTTALLASSA-N
InChi (Click to copy)
InChI=1S/C43H75O12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-37(44)54-36(34-52-33-31-29-27-25-23-16-14-12-10-8-6-4-2)35-53-56(50,51)55-43-41(48)39(46)38(45)40(47)42(43)49/h7,9,13,15,18-19,21-22,31,33,36,38-43,45-49H,3-6,8,10-12,14,16-17,20,23-30,32,34-35H2,1-2H3,(H,50,51)/b9-7+,15-13+,19-18+,22-21+,33-31-/t36-,38?,39-,40?,41?,42?,43-/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](O)C(O)C(O)C1O)CO/C=C\CCCCCCCCCCCC