In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20029APY |
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Common Name | PE(16:0/2:0) |
Systematic Name | 1-hexadecanoyl-2-acetyl-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(18:0); PE(16:0/2:0) |
Exact Mass | |
Formula | C23H46NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | ZGGNMPIUHBORSG-JOCHJYFZSA-N |
InChI | InChI=1S/C23H46NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(26)29-19-22(32-21(2 )25)20-31-33(27,28)30-18-17-24/h22H,3-20,24H2,1-2H3,(H,27,28)/t22-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(C)=O)COC(CCCCCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |