In-Silico Structure Database (LMISSD)
Common Name
PI(O-14:0/16:1(7Z))
Systematic Name
1-tetradecyl-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06029AAJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
766.499618
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
NDEACCKVOLYFKH-QTQLPDTMSA-N
InChi (Click to copy)
InChI=1S/C39H75O12P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33(40)50-32(30-48-29-27-25-23-21-19-16-14-12-10-8-6-4-2)31-49-52(46,47)51-39-37(44)35(42)34(41)36(43)38(39)45/h17-18,32,34-39,41-45H,3-16,19-31H2,1-2H3,(H,46,47)/b18-17-/t32-,34?,35-,36?,37?,38?,39-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCCCCCC