In-Silico Structure Database (LMISSD)

Common Name
PABA 18:3(6Z,9Z,12Z)
Systematic Name
N-(6Z,9Z,12Z-octadecatrienoyl)-4-aminobenzoic acid
LM ID
LMFA0805B031
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
397.261694
Formula
C25H35NO3
Download as...
MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amino acids [FA0805]

String Representations

InChiKey (Click to copy)
ZDFKVTUSUHWXIS-QNEBEIHSSA-N
InChi (Click to copy)
InChI=1S/C25H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)26-23-20-18-22(19-21-23)25(28)29/h6-7,9-10,12-13,18-21H,2-5,8,11,14-17H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,13-12-
SMILES (Click to copy)
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)Nc1ccc(cc1)C(=O)O

References

Other Databases