In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20029AKA |
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Common Name | PE(14:1(9Z)/2:0) |
Systematic Name | 1-(9Z-tetradecenoyl)-2-acetyl-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(16:1); PE(14:1/2:0) |
Exact Mass | |
Formula | C21H40NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | WVXIWFSWGKTCHY-PXDRNWIDSA-N |
InChI | InChI=1S/C21H40NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(24)27-17-20(30-19(2)23)18 -29-31(25,26)28-16-15-22/h6-7,20H,3-5,8-18,22H2,1-2H3,(H,25,26)/b7-6-/t20-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(C)=O)COC(CCCCCCC/C=C\CCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |