In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02029AU1 |
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Common Name | PE(O-20:1(11Z)/10:0) |
Systematic Name | 1-(11Z-eicosenyl)-2-decanoyl-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(O-30:1); PE(O-20:1/10:0) |
Exact Mass | |
Formula | C35H70NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-alkyl,2-acylglycerophosphoethanolamines [GP0202] |
PubChem Compound ID (CID) | - |
InChIKey | NTVMBDKBZVAUNI-GUQLITGGSA-N |
InChI | InChI=1S/C35H70NO7P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-30-40-3 2-34(33-42-44(38,39)41-31-29-36)43-35(37)28-26-24-22-10-8-6-4-2/h14-15,34H,3-13, 16-33,36H2,1-2H3,(H,38,39)/b15-14-/t34-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCC)=O)COCCCCCCCCCC/C=C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |