DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:50 UTC
Update Date	2025-03-25 00:51:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184906
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₃N₅O₅
Molecular Mass	365.1699
SMILES	N=C(N)NCCCC(=O)C(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)O
InChI Key	PFIDFBOJJMEGRR-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	dipeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1,3-dicarbonyl compounds 1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino fatty acids amphetamines and derivatives benzene and substituted derivatives beta-hydroxy ketones beta-keto acids and derivatives carbocyclic fatty acids carboximidamides carboxylic acids fatty amides guanidines hydrocarbon derivatives hydroxy fatty acids imines medium-chain keto acids and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl beta-hydroxy ketone carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid guanidine imine fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives beta-keto acid ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboximidamide carboxamide group amino fatty acid aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound keto acid phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound medium-chain keto acid

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