In-Silico Structure Database (LMISSD)

Common Name
PA(O-14:0/14:1(9Z))
Systematic Name
1-tetradecyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphate
LM ID
LMGP10029AAF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
576.415493
Formula
C31H61O7P
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)
ZVEXHNZDHNARPO-SPMUYJKHSA-N
InChi (Click to copy)
InChI=1S/C31H61O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-36-28-30(29-37-39(33,34)35)38-31(32)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,30H,3-9,11,13-29H2,1-2H3,(H2,33,34,35)/b12-10-/t30-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C\CCCC)=O)COCCCCCCCCCCCCCC

References

Other Databases