In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02019AJ1 |
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Common Name | PE(14:0/18:1(4E)) |
Systematic Name | 1-tetradecanoyl-2-(4E-octadecenoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(32:1); PE(14:0_18:1) |
Exact Mass | |
Formula | C37H72NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | Diacylglycerophosphoethanolamines [GP0201] |
PubChem Compound ID (CID) | - |
InChIKey | SITYWRPIXXLTFH-DQNKWTKCSA-N |
InChI | InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(3 4-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h24,26, 35H,3-23,25,27-34,38H2,1-2H3,(H,41,42)/b26-24+/t35-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CC/C=C/CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |