In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](37:0/16:0)
Systematic Name
1-heptatriacontanoyl-2-hexadecanoyl-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019P1O
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)
NBIMKRCOFQLUEC-LKXIAXGZSA-N
InChi (Click to copy)
InChI=1S/C62H122O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-40-42-44-46-48-50-55(63)74-52-54(76-56(64)51-49-47-45-43-41-38-16-14-12-10-8-6-4-2)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(CCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O