In-Silico Structure database (LMISSD)
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LM ID | LMGP02019AD6 |
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Common Name | PE(11:0/22:5(7Z,10Z,13Z,16Z,19Z)) |
Systematic Name | 1-undecanoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(33:5); PE(11:0_22:5) |
Exact Mass | |
Formula | C38H66NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | Diacylglycerophosphoethanolamines [GP0201] |
PubChem Compound ID (CID) | - |
InChIKey | UUGATKOOMUGHSN-BYQVIYSMSA-N |
InChI | InChI=1S/C38H66NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-27-29-31-3 8(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-12-10-8-6-4-2/h5,7 ,11,13,15-16,18-19,21-22,36H,3-4,6,8-10,12,14,17,20,23-35,39H2,1-2H3,(H,42,43)/b 7-5-,13-11-,16-15-,19-18-,22-21-/t36-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCC CCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |