In-Silico Structure database (LMISSD)
| |
LM ID | LMFA0805A031 |
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Common Name | Ala 22:6(4Z,7Z,10Z,13Z,16Z,19Z) |
Systematic Name | N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-alanine |
Synonyms | - |
Exact Mass | |
Formula | C25H37NO3 |
Category | Fatty Acyls [FA] |
Main Class | Fatty amides [FA08] |
Sub Class | N-acyl amino acids [FA0805] |
PubChem Compound ID (CID) | - |
InChIKey | BHZOQBQXELCPJM-MORMTOSTSA-N |
InChI | InChI=1S/C25H37NO3/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/h4-5,7-8,10-11,13-14,16-17,19-20,23H,3,6,9,12,15,18,21-22H2,1- 2H3,(H,26,27)(H,28,29)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t23-/m0/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=N[C@@H](C)C(=O)O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |