In-Silico Structure database (LMISSD)
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LM ID | LMGP02039AM6 |
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Common Name | PE(P-18:1(9Z)/20:4(7E,10E,13E,16E)) |
Systematic Name | 1-(1Z,9Z-octadecadienyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(P-38:5); PE(P-18:1/20:4) |
Exact Mass | |
Formula | C43H76NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203] |
PubChem Compound ID (CID) | - |
InChIKey | RBSDIRAXCRTZOZ-URJCXGCWSA-N |
InChI | InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)5 1-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10- 8-6-4-2/h7,9,13,15,18-21,24,26,35,38,42H,3-6,8,10-12,14,16-17,22-23,25,27-34,36- 37,39-41,44H2,1-2H3,(H,46,47)/b9-7+,15-13+,20-18-,21-19+,26-24+,38-35-/t42-/m1/s 1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)CO/C=C\CCCCCC/C= C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |