In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](14:0/13:0)
Systematic Name
1-tetradecanoyl-2-tridecanoyl-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019AJL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
820.413916
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
IXRXNGXEVHJRHU-BRDFOZRDSA-N
InChi (Click to copy)
InChI=1S/C36H70O16P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-29(37)48-26-28(50-30(38)25-23-21-19-16-14-12-10-8-6-4-2)27-49-54(46,47)52-36-33(41)31(39)32(40)35(34(36)42)51-53(43,44)45/h28,31-36,39-42H,3-27H2,1-2H3,(H,46,47)(H2,43,44,45)/t28-,31?,32?,33?,34?,35-,36+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCCCCCC)=O