In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](37:0/15:1(9Z))
Systematic Name
1-heptatriacontanoyl-2-(9Z-pentadecenoyl)-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019P1N
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1168.789516
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
JQNCCUSESIJFEU-VQOHXCSXSA-N
InChi (Click to copy)
InChI=1S/C61H118O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-41-43-45-47-49-54(62)73-51-53(75-55(63)50-48-46-44-42-39-16-14-12-10-8-6-4-2)52-74-79(71,72)77-61-58(66)56(64)57(65)60(59(61)67)76-78(68,69)70/h12,14,53,56-61,64-67H,3-11,13,15-52H2,1-2H3,(H,71,72)(H2,68,69,70)/b14-12-/t53-,56-,57?,58?,59?,60?,61-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O