In-Silico Structure database (LMISSD)
| |
LM ID | LMFA0805A028 |
---|---|
Common Name | Ala 22:2(13Z,16Z) |
Systematic Name | N-(13Z,16Z-docosadienoyl)-alanine |
Synonyms | - |
Exact Mass | |
Formula | C25H45NO3 |
Category | Fatty Acyls [FA] |
Main Class | Fatty amides [FA08] |
Sub Class | N-acyl amino acids [FA0805] |
PubChem Compound ID (CID) | - |
InChIKey | ANGXKCGVWSJICF-UCRJRUTHSA-N |
InChI | InChI=1S/C25H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(27 )26-23(2)25(28)29/h7-8,10-11,23H,3-6,9,12-22H2,1-2H3,(H,26,27)(H,28,29)/b8-7-,11 -10-/t23-/m0/s1 |
SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=N[C@@H](C)C(=O)O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |