In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02019BDL |
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Common Name | PE(18:1(13Z)/14:0) |
Systematic Name | 1-(13Z-octadecenoyl)-2-tetradecanoyl-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 | AQOCYEPUWFKSCC-OJOCICPLSA-N |
InChI | InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-3 5(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h9,11,3 5H,3-8,10,12-34,38H2,1-2H3,(H,41,42)/b11-9-/t35-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCC/C=C\CCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |