DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:37 UTC
Update Date	2025-03-25 00:54:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02209587
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₀N₄O₇
Molecular Mass	356.1332
SMILES	CC(NC(CCC(=O)NC(Cc1c[nH]cn1)C(=O)O)C(=O)O)C(=O)O
InChI Key	HWBVZXFFFRSFLE-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	oligopeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alanine and derivatives alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines dipeptides glutamine and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid glutamine or derivatives aromatic heteromonocyclic compound amino acid or derivatives amino acid fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives secondary aliphatic amine azacycle n-acyl-alpha-amino acid heteroaromatic compound secondary amine carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound alanine or derivatives hydrocarbon derivative alpha-oligopeptide organic nitrogen compound organooxygen compound amine

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