In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02029AJL |
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Common Name | PE(O-16:1(9Z)/13:0) |
Systematic Name | 1-(9Z-hexadecenyl)-2-tridecanoyl-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(O-29:1); PE(O-16:1/13:0) |
Exact Mass | |
Formula | C34H68NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-alkyl,2-acylglycerophosphoethanolamines [GP0202] |
PubChem Compound ID (CID) | - |
InChIKey | QTYKNKYCNDQWDI-AVKQKRQHSA-N |
InChI | InChI=1S/C34H68NO7P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-29-39-31-33(32-41-4 3(37,38)40-30-28-35)42-34(36)27-25-23-21-19-14-12-10-8-6-4-2/h13,15,33H,3-12,14, 16-32,35H2,1-2H3,(H,37,38)/b15-13-/t33-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |