In-Silico Structure Database (LMISSD)

Common Name
PA(O-16:1(9Z)/18:2(9E,12E))
Systematic Name
1-(9Z-hexadecenyl)-2-(9E,12E-octadecadienoyl)-sn-glycero-3-phosphate
LM ID
LMGP10029AJ9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
656.478093
Formula
C37H69O7P
Predict MS/MS spectrum (Neg. Mode)
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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]
Glycerophosphates [GP10]
1-alkyl,2-acylglycerophosphates [GP1002]

String Representations

InChiKey (Click to copy)
PHDWPOATHLAOIO-UJIFJLPXSA-N
InChi (Click to copy)
InChI=1S/C37H69O7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(38)44-36(35-43-45(39,40)41)34-42-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,36H,3-10,12,15,18,20-35H2,1-2H3,(H2,39,40,41)/b13-11+,16-14-,19-17+/t36-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)COCCCCCCCC/C=C\CCCCCC

References

Other Databases