DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:11 UTC
Update Date	2025-03-25 00:53:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199401
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₈N₆O₆
Molecular Mass	366.1288
SMILES	NC(=O)CCC(NC(=O)C(N)Cc1c[nH]c2[nH]c(=O)[nH]c(=O)c12)C(=O)O
InChI Key	WYMCLOQTQAYJFX-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 heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids fatty amides glutamine and derivatives heteroaromatic compounds hydrocarbon derivatives lactams monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides pyrimidones pyrroles pyrrolo[2,3-d]pyrimidines secondary carboxylic acid amides vinylogous amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group lactam carboxylic acid glutamine or derivatives fatty amide pyrimidone alpha-amino acid or derivatives pyrimidine pyrrolopyrimidine organic oxide pyrrolo[2,3-d]pyrimidine aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide carbonic acid derivative alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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