DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:13 UTC
Update Date	2025-03-25 00:45:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151622
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₅N₅O₅
Molecular Mass	379.1856
SMILES	N=C(N)NCCCC(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)O
InChI Key	CFUBISMXLDXJBI-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	alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboximidamides carboxylic acids gamma amino acids and derivatives guanidines hydrocarbon derivatives imines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives primary alcohols secondary carboxylic acid amides serine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid gamma amino acid or derivatives guanidine imine fatty amide alpha-amino acid or derivatives beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide n-acyl-alpha-amino acid carboximidamide hydroxy acid carboxamide group n-acyl-amine n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound serine or derivatives organooxygen compound

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