In-Silico Structure Database (LMISSD)

P O H HO O O HO O O HO H P O HO OH
Common Name
LPGP(O-22:1(9Z)/0:0)
Systematic Name
1-(9Z-docosenyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05069AAO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
632.345441
Formula
C28H58O11P2
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]
Glycerophosphoglycerophosphates [GP05]
Monoalkylglycerophosphoglycerophosphates [GP0506]

String Representations

InChiKey (Click to copy)
KESSXSOPBHKYPK-UACJPVLMSA-N
InChi (Click to copy)
InChI=1S/C28H58O11P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-36-23-27(29)25-38-41(34,35)39-26-28(30)24-37-40(31,32)33/h13-14,27-30H,2-12,15-26H2,1H3,(H,34,35)(H2,31,32,33)/b14-13-/t27-,28+/m1/s1
SMILES (Click to copy)
[C@]([H])(O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCC/C=CCCCCCCCCCCCC

References

Other Databases