In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](14:0/39:0)
Systematic Name
1-tetradecanoyl-2-nonatriacontanoyl-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019ALS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1184.820816
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
QRKAQKWYQSXESD-HMSNRKJUSA-N
InChi (Click to copy)
InChI=1S/C62H122O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-56(64)76-54(52-74-55(63)50-48-46-44-42-40-14-12-10-8-6-4-2)53-75-80(72,73)78-62-59(67)57(65)58(66)61(60(62)68)77-79(69,70)71/h54,57-62,65-68H,3-53H2,1-2H3,(H,72,73)(H2,69,70,71)/t54-,57?,58?,59?,60?,61-,62+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCCCCCC)=O