In-Silico Structure Database (LMISSD)

Common Name
LPIP3[3',4',5'](P-14:0/0:0)
Systematic Name
1-(1Z-tetradecenyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09069AAA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
768.168952
Formula
C23H48O20P4
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]
1Z-alkenylglycerophosphoinositol trisphosphates [GP0906]

String Representations

InChiKey (Click to copy)
VFDDVQCVFFSZBJ-OGCDDCKASA-N
InChi (Click to copy)
InChI=1S/C23H48O20P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-38-15-17(24)16-39-47(36,37)43-20-18(25)21(40-44(27,28)29)23(42-46(33,34)35)22(19(20)26)41-45(30,31)32/h13-14,17-26H,2-12,15-16H2,1H3,(H,36,37)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)/b14-13-/t17-,18?,19?,20-,21+,22?,23?/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)CO/C=CCCCCCCCCCCCC

References

Other Databases