In-Silico Structure database (LMISSD)
| |
LM ID | LMFA0805A015 |
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Common Name | Ala 18:3(6Z,9Z,12Z) |
Systematic Name | N-(6Z,9Z,12Z-octadecatrienoyl)-alanine |
Synonyms | - |
Exact Mass | |
Formula | C21H35NO3 |
Category | Fatty Acyls [FA] |
Main Class | Fatty amides [FA08] |
Sub Class | N-acyl amino acids [FA0805] |
PubChem Compound ID (CID) | - |
InChIKey | LVTFNNBTFWSMKE-VXAMVLJISA-N |
InChI | InChI=1S/C21H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-19(2)21( 24)25/h7-8,10-11,13-14,19H,3-6,9,12,15-18H2,1-2H3,(H,22,23)(H,24,25)/b8-7-,11-10 -,14-13-/t19-/m0/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=N[C@@H](C)C(=O)O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |