DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:08:39 UTC
Update Date	2025-03-21 18:30:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00082939
Frequency	45.7
Structure
Chemical Formula	C₁₇H₂₇N₅O₄
Molecular Mass	365.2063
SMILES	CN(C)C(N)=NCCCC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)O
InChI Key	VMPMNLWUEVEVPS-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 amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids fatty amides guanidines hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid guanidine fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives alpha-amino acid amide n-acyl-alpha-amino acid organic 1,3-dipolar compound carboximidamide carboxamide group 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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