DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:09:49 UTC
Update Date	2025-03-21 18:31:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00085675
Frequency	33.3
Structure
Chemical Formula	C₁₃H₁₈N₄O₃
Molecular Mass	278.1379
SMILES	N=C(N)NCCC(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	INLNNJVEVPYTQA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amphetamines and derivatives benzene and substituted derivatives beta amino acids and derivatives carbonyl compounds carboximidamides carboxylic acids guanidines hydrocarbon derivatives imines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid guanidine imine alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboximidamide carboxamide group beta amino acid or derivatives aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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