In-Silico Structure Database (LMISSD)

Common Name
LPIP3[3',4',5'](O-18:1(11Z)/0:0)
Systematic Name
1-(11Z-octadecenyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09059AAF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
824.231552
Formula
C27H56O20P4
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 trisphosphates [GP09]
Monoalkylglycerophosphoinositol trisphosphates [GP0905]

String Representations

InChiKey (Click to copy)
ZXONLDOWECMQIJ-HPQYDJFKSA-N
InChi (Click to copy)
InChI=1S/C27H56O20P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-42-19-21(28)20-43-51(40,41)47-24-22(29)25(44-48(31,32)33)27(46-50(37,38)39)26(23(24)30)45-49(34,35)36/h7-8,21-30H,2-6,9-20H2,1H3,(H,40,41)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)/b8-7-/t21-,22?,23?,24-,25+,26?,27?/m1/s1
SMILES (Click to copy)
[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COCCCCCCCCCC/C=CCCCCCC

References

Other Databases