In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02029AKD |
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Common Name | PE(O-16:1(9Z)/18:3(9Z,12Z,15Z)) |
Systematic Name | 1-(9Z-hexadecenyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(O-34:4); PE(O-16:1/18:3) |
Exact Mass | |
Formula | C39H72NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-alkyl,2-acylglycerophosphoethanolamines [GP0202] |
PubChem Compound ID (CID) | - |
InChIKey | MCJVKGLQDUSHRG-HQZDWUFTSA-N |
InChI | InChI=1S/C39H72NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(3 7-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7 ,11,13-14,16-17,19,38H,3-4,6,8-10,12,15,18,20-37,40H2,1-2H3,(H,42,43)/b7-5-,13-1 1-,16-14-,19-17-/t38-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)COCCCCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |