In-Silico Structure database (LMISSD)
| |
LM ID | LMFA0805A012 |
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Common Name | Ala 17:2(9Z,12Z) |
Systematic Name | N-(9Z,12Z-heptadecadienoyl)-alanine |
Synonyms | - |
Exact Mass | |
Formula | C20H35NO3 |
Category | Fatty Acyls [FA] |
Main Class | Fatty amides [FA08] |
Sub Class | N-acyl amino acids [FA0805] |
PubChem Compound ID (CID) | - |
InChIKey | AXNCTEJUUSLZGZ-RKRHOQAZSA-N |
InChI | InChI=1S/C20H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18(2)20(23) 24/h6-7,9-10,18H,3-5,8,11-17H2,1-2H3,(H,21,22)(H,23,24)/b7-6-,10-9-/t18-/m0/s1 |
SMILES | CCCC/C=C\C/C=C\CCCCCCCC(=N[C@@H](C)C(=O)O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |