In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02029ABN |
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Common Name | PE(O-14:0/20:4(7E,10E,13E,16E)) |
Systematic Name | 1-tetradecyl-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(O-34:4); PE(O-14:0/20:4) |
Exact Mass | |
Formula | C39H72NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-alkyl,2-acylglycerophosphoethanolamines [GP0202] |
PubChem Compound ID (CID) | - |
InChIKey | KHRMDIVBULDQAF-KMZMZBHPSA-N |
InChI | InChI=1S/C39H72NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-39(41)4 7-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-16-14-12-10-8-6-4-2/h7,9 ,13,15,18-19,21-22,38H,3-6,8,10-12,14,16-17,20,23-37,40H2,1-2H3,(H,42,43)/b9-7+, 15-13+,19-18+,22-21+/t38-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)COCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |