In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20029AN2 |
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Common Name | PE(15:1(9Z)/2:0) |
Systematic Name | 1-(9Z-pentadecenoyl)-2-acetyl-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(17:1); PE(15:1/2:0) |
Exact Mass | |
Formula | C22H42NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | TUYJXCUSWOIHTQ-GIWCCYDRSA-N |
InChI | InChI=1S/C22H42NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22(25)28-18-21(31-20(2)24 )19-30-32(26,27)29-17-16-23/h7-8,21H,3-6,9-19,23H2,1-2H3,(H,26,27)/b8-7-/t21-/m1 /s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(C)=O)COC(CCCCCCC/C=C\CCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |