| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:52:45 UTC |
|---|
| Update Date | 2025-03-25 00:51:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02184716 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C28H36N8O3 |
|---|
| Molecular Mass | 532.291 |
|---|
| SMILES | N=C(NCCCCCCNC(=N)NC(Cc1ccc(O)cc1)C(=O)O)NC(=N)Nc1cccc2ccccc12 |
|---|
| InChI Key | JPWPLVCYVBOYOH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | tyrosine and derivatives |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | 1-arylbiguanides1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidshydrocarbon derivativesiminesmonocarboxylic acids and derivativesnaphthalenesorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acids |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidguanidineimine1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-arylbiguanideamphetamine or derivativestyrosine or derivativesaromatic homopolycyclic compoundcarboximidamidearylbiguanidemonocarboxylic acid or derivativesnaphthalenephenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundbiguanideorganooxygen compound |
|---|
