In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02019ADR |
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Common Name | PE(11:0/20:3(5Z,8Z,11Z)) |
Systematic Name | 1-undecanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(31:3); PE(11:0_20:3) |
Exact Mass | |
Formula | C36H66NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | Diacylglycerophosphoethanolamines [GP0201] |
PubChem Compound ID (CID) | - |
InChIKey | KIFOFPPUCPJTGE-ZIWMAOJOSA-N |
InChI | InChI=1S/C36H66NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-36(39)4 5-34(33-44-46(40,41)43-31-30-37)32-42-35(38)28-26-24-22-12-10-8-6-4-2/h15-16,18- 19,21,23,34H,3-14,17,20,22,24-33,37H2,1-2H3,(H,40,41)/b16-15-,19-18-,23-21-/t34- /m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)COC(CCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |