In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02019FJA |
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Common Name | PE(38:0/38:0) |
Systematic Name | 1-2-di-octatriacontanoyl-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(76:0); PE(38:0/38:0) |
Exact Mass | |
Formula | C81H162NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | Diacylglycerophosphoethanolamines [GP0201] |
PubChem Compound ID (CID) | - |
InChIKey | XDFWCWLYBLLZQU-CCIWDQKQSA-N |
InChI | InChI=1S/C81H162NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41- 43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-80(83)87-77-79(78-89-91(85,86)88 -76-75-82)90-81(84)74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-3 4-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h79H,3-78,82H2,1-2H3,(H,85,86)/t79 -/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCC CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |