In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02039AZQ |
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Common Name | PE(P-22:1(9Z)/13:0) |
Systematic Name | 1-(1Z,9Z-docosenyl)-2-tridecanoyl-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(P-35:1); PE(P-22:1/13:0) |
Exact Mass | |
Formula | C40H78NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203] |
PubChem Compound ID (CID) | - |
InChIKey | WETFMVIXMPMATL-JDTLOSAXSA-N |
InChI | InChI=1S/C40H78NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-3 5-45-37-39(38-47-49(43,44)46-36-34-41)48-40(42)33-31-29-27-25-14-12-10-8-6-4-2/h 20-21,32,35,39H,3-19,22-31,33-34,36-38,41H2,1-2H3,(H,43,44)/b21-20-,35-32-/t39-/ m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |