In-Silico Structure Database (LMISSD)

O HO P NH 2 O O HO H O O
Common Name
LPE(18:3(9Z,12Z,15Z)/0:0)
Systematic Name
1-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02059AA5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
475.269892
Formula
C23H42NO7P
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MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
Monoacylglycerophosphoethanolamines [GP0205]

String Representations

InChiKey (Click to copy)
NTBBASCGALPTDC-WOBXFXBNSA-N
InChi (Click to copy)
InChI=1S/C23H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h3-4,6-7,9-10,22,25H,2,5,8,11-21,24H2,1H3,(H,27,28)/b4-3-,7-6-,10-9-/t22-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(O)COC(CCCCCCC/C=CC/C=CC/C=CCC)=O

References

Other Databases