In-Silico Structure database (LMISSD)
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LM ID | LMGP02019ADI |
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Common Name | PE(11:0/18:4(9E,11E,13E,15E)) |
Systematic Name | 1-undecanoyl-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(29:4); PE(11:0_18:4) |
Exact Mass | |
Formula | C34H60NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | Diacylglycerophosphoethanolamines [GP0201] |
PubChem Compound ID (CID) | - |
InChIKey | LCOLBMJBPOPLTK-PCTGUKORSA-N |
InChI | InChI=1S/C34H60NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-34(37)43-32(3 1-42-44(38,39)41-29-28-35)30-40-33(36)26-24-22-20-12-10-8-6-4-2/h5,7,9,11,13-16, 32H,3-4,6,8,10,12,17-31,35H2,1-2H3,(H,38,39)/b7-5+,11-9+,14-13+,16-15+/t32-/m1/s 1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)COC(CCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |