In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20029AI7 |
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Common Name | PE(14:0/4:0) |
Systematic Name | 1-tetradecanoyl-2-butyryl-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(18:0); PE(14:0/4:0) |
Exact Mass | |
Formula | C23H46NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | RBYPIDWZMLKLBR-OAQYLSRUSA-N |
InChI | InChI=1S/C23H46NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-16-22(25)29-19-21(32-23(26)15- 4-2)20-31-33(27,28)30-18-17-24/h21H,3-20,24H2,1-2H3,(H,27,28)/t21-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCC)=O)COC(CCCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |