In-Silico Structure Database (LMISSD)

HO OH OH OH HO O O O H HO O P HO O
Common Name
LPI(18:4(9E,11E,13E,15E)/0:0)
Systematic Name
1-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06059AA7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
592.264868
Formula
C27H45O12P
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]
Glycerophosphoinositols [GP06]
Monoacylglycerophosphoinositols [GP0605]

String Representations

InChiKey (Click to copy)
YXFJTOSSNFSRKY-GRDDNNMRSA-N
InChi (Click to copy)
InChI=1S/C27H45O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h3-10,20,22-28,30-34H,2,11-19H2,1H3,(H,35,36)/b4-3+,6-5+,8-7+,10-9+/t20-,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](O)C(O)C(O)C1O)COC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O

References

Other Databases