In-Silico Structure Database (LMISSD)

Common Name
LPIP[4'](O-22:0/0:0)
Systematic Name
1-docosyl-sn-glycero-3-phosphoinositol-4-phosphate
LM ID
LMGP07069AA1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
722.377136
Formula
C31H64O14P2
Download as...
MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Monoalkylglycerophosphoinositol monophosphates [GP0706]

String Representations

InChiKey (Click to copy)
KTLMFFQKALZYGL-WSQVSWAVSA-N
InChi (Click to copy)
InChI=1S/C31H64O14P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-42-23-25(32)24-43-47(40,41)45-31-28(35)26(33)30(27(34)29(31)36)44-46(37,38)39/h25-36H,2-24H2,1H3,(H,40,41)(H2,37,38,39)/t25-,26+,27?,28?,29?,30?,31-/m1/s1
SMILES (Click to copy)
[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(O)C1O)COCCCCCCCCCCCCCCCCCCCCCC

References

Other Databases