In-Silico Structure database (LMISSD)
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LM ID | LMGP02029AA6 |
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Common Name | PE(O-14:0/18:4(6Z,9Z,12Z,15Z)) |
Systematic Name | 1-tetradecyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(O-32:4); PE(O-14:0/18:4) |
Exact Mass | |
Formula | C37H68NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-alkyl,2-acylglycerophosphoethanolamines [GP0202] |
PubChem Compound ID (CID) | - |
InChIKey | JRUSHSMXDYPYAA-ZFFHNLRQSA-N |
InChI | InChI=1S/C37H68NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-37(39)45-36(3 5-44-46(40,41)43-33-31-38)34-42-32-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13 ,17-18,20,22,36H,3-4,6,8-10,12,14-16,19,21,23-35,38H2,1-2H3,(H,40,41)/b7-5-,13-1 1-,18-17-,22-20-/t36-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |