In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20029AZE |
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Common Name | PE(17:2(9Z,12Z)/2:0) |
Systematic Name | 1-(9Z,12Z-heptadecadienoyl)-2-acetyl-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(19:2); PE(17:2/2:0) |
Exact Mass | |
Formula | C24H44NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | ZVOSUYMMCUSXRD-HTBJJZHRSA-N |
InChI | InChI=1S/C24H44NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)30-20-23(33-2 2(2)26)21-32-34(28,29)31-19-18-25/h6-7,9-10,23H,3-5,8,11-21,25H2,1-2H3,(H,28,29) /b7-6-,10-9-/t23-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(C)=O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |