In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20029AHB |
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Common Name | PE(13:0/4:0) |
Systematic Name | 1-tridecanoyl-2-butyryl-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(17:0); PE(13:0/4:0) |
Exact Mass | |
Formula | C22H44NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | LXTOYQIAUHNTCF-HXUWFJFHSA-N |
InChI | InChI=1S/C22H44NO8P/c1-3-5-6-7-8-9-10-11-12-13-15-21(24)28-18-20(31-22(25)14-4-2 )19-30-32(26,27)29-17-16-23/h20H,3-19,23H2,1-2H3,(H,26,27)/t20-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCC)=O)COC(CCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |