In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02029AQR |
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Common Name | PE(O-18:1(9Z)/17:1(9Z)) |
Systematic Name | 1-(9Z-octadecenyl)-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(O-35:2); PE(O-18:1/17:1) |
Exact Mass | |
Formula | C40H78NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-alkyl,2-acylglycerophosphoethanolamines [GP0202] |
PubChem Compound ID (CID) | - |
InChIKey | JVHDZTSXUITLTB-KETLZHFASA-N |
InChI | InChI=1S/C40H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-35-45-37-39(3 8-47-49(43,44)46-36-34-41)48-40(42)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h 16-19,39H,3-15,20-38,41H2,1-2H3,(H,43,44)/b18-16-,19-17-/t39-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |