DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:28:22 UTC
Update Date	2025-03-21 18:40:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00130321
Frequency	38.4
Structure
Chemical Formula	C₁₇H₂₀N₄O₅
Molecular Mass	360.1434
SMILES	CC(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	VTNRKKJSSZZBIJ-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 heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids acetamides alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound acetamide amphetamine or derivatives azole n-acyl-alpha amino acid or derivatives tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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