In-Silico Structure Database (LMISSD)

Common Name
PE(17:1(9Z)/4:0(4OH,4Ke))
Systematic Name
1-(9Z-heptadecenoyl)-2-succinyl-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029AYA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
565.301587
Formula
C26H48NO10P
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MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]

String Representations

InChiKey (Click to copy)
VJIURZFHZIRXGD-UFTUAFODSA-N
InChi (Click to copy)
InChI=1S/C26H48NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(30)34-21-23(37-26(31)18-17-24(28)29)22-36-38(32,33)35-20-19-27/h8-9,23H,2-7,10-22,27H2,1H3,(H,28,29)(H,32,33)/b9-8-/t23-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCC(=O)O)=O)COC(CCCCCCC/C=C\CCCCCCC)=O

References

Other Databases