In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02029AAK |
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Common Name | PE(O-14:0/16:1(9Z)) |
Systematic Name | 1-tetradecyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(O-30:1); PE(O-14:0/16:1) |
Exact Mass | |
Formula | C35H70NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-alkyl,2-acylglycerophosphoethanolamines [GP0202] |
PubChem Compound ID (CID) | - |
InChIKey | RTNOJYUPSQPPGC-NOLSVFIGSA-N |
InChI | InChI=1S/C35H70NO7P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-35(37)43-34(33-42-4 4(38,39)41-31-29-36)32-40-30-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,34H,3-12, 14,16-33,36H2,1-2H3,(H,38,39)/b15-13-/t34-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |