In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02019AFZ |
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Common Name | PE(12:0/20:1(13Z)) |
Systematic Name | 1-dodecanoyl-2-(13Z-eicosenoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(32:1); PE(12:0_20:1) |
Exact Mass | |
Formula | C37H72NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | Diacylglycerophosphoethanolamines [GP0201] |
PubChem Compound ID (CID) | - |
InChIKey | BFBITLWNNWQXGR-JVWQKDOFSA-N |
InChI | InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-37(40)4 6-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-12-10-8-6-4-2/h13-14, 35H,3-12,15-34,38H2,1-2H3,(H,41,42)/b14-13-/t35-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |