In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02029A82 |
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Common Name | PE(O-22:1(9Z)/15:1(9Z)) |
Systematic Name | 1-(9Z-docosenyl)-2-(9Z-pentadecenoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(O-37:2); PE(O-22:1/15:1) |
Exact Mass | |
Formula | C42H82NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-alkyl,2-acylglycerophosphoethanolamines [GP0202] |
PubChem Compound ID (CID) | - |
InChIKey | KGJJJRGBXSPJIW-XSSKZVKMSA-N |
InChI | InChI=1S/C42H82NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-3 7-47-39-41(40-49-51(45,46)48-38-36-43)50-42(44)35-33-31-29-27-25-16-14-12-10-8-6 -4-2/h12,14,21-22,41H,3-11,13,15-20,23-40,43H2,1-2H3,(H,45,46)/b14-12-,22-21-/t4 1-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\CCCCC)=O)COCCCCCCCC/C=C\CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |