In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02019AFE |
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Common Name | PE(12:0/18:1(17Z)) |
Systematic Name | 1-dodecanoyl-2-(13Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(30:1); PE(12:0_18:1) |
Exact Mass | |
Formula | C35H68NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | Diacylglycerophosphoethanolamines [GP0201] |
PubChem Compound ID (CID) | - |
InChIKey | RNDNKGTUOHXDBE-MGBGTMOVSA-N |
InChI | InChI=1S/C35H68NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-35(38)44-33(3 2-43-45(39,40)42-30-29-36)31-41-34(37)27-25-23-21-19-12-10-8-6-4-2/h3,33H,1,4-32 ,36H2,2H3,(H,39,40)/t33-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCCCCCCC=C)=O)COC(CCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |