In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](39:0/28:0)
Systematic Name
1-nonatriacontanoyl-2-octacosanoyl-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019P71
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1381.039916
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
VCWTVPQIAWAHNE-SFOZOEKCSA-N
InChi (Click to copy)
InChI=1S/C76H150O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-54-56-58-60-62-64-69(77)88-66-68(67-89-94(86,87)92-76-73(81)71(79)72(80)75(74(76)82)91-93(83,84)85)90-70(78)65-63-61-59-57-55-53-51-49-47-45-43-40-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h68,71-76,79-82H,3-67H2,1-2H3,(H,86,87)(H2,83,84,85)/t68-,71-,72?,73?,74?,75?,76-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O