DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:44:20 UTC
Update Date	2025-03-21 18:00:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00025094
Frequency	169.4
Structure
Chemical Formula	C₁₆H₂₅N₅O₄
Molecular Mass	351.1907
SMILES	N=C(N)NCCCCC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)O
InChI Key	GYCHAIFWCPNNCM-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-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino fatty acids amphetamines and derivatives benzene and substituted derivatives carbocyclic fatty acids carbonyl compounds carboximidamides carboxylic acids fatty amides guanidines hydrocarbon derivatives hydroxy fatty acids imines medium-chain fatty acids medium-chain hydroxy 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 carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid guanidine imine fatty amide 1-hydroxy-2-unsubstituted benzenoid fatty acid alpha-amino acid or derivatives medium-chain hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid 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 phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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