In-Silico Structure database (LMISSD)
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LM ID | LMGP02029AK1 |
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Common Name | PE(O-16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) |
Systematic Name | 1-(9Z-hexadecenyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(O-38:5); PE(O-16:1/22:4) |
Exact Mass | |
Formula | C43H78NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-alkyl,2-acylglycerophosphoethanolamines [GP0202] |
PubChem Compound ID (CID) | - |
InChIKey | SYAHYXHCAXRQTN-KHOXYIIFSA-N |
InChI | InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-4 3(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-18-16-14-12-10- 8-6-4-2/h11,13-14,16-17,19,21-22,24,26,42H,3-10,12,15,18,20,23,25,27-41,44H2,1-2 H3,(H,46,47)/b13-11-,16-14-,19-17-,22-21-,26-24-/t42-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COCCCCCCCC/C=C \CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |