DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:55:49 UTC
Update Date	2025-03-25 00:52:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02191707
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₉N₅O₅
Molecular Mass	313.1386
SMILES	CC(=O)NC(CCCCNc1c(N)[nH]c(=O)[nH]c1=O)C(=O)O
InChI Key	SFMAVCKHCPWTIU-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	n-acyl-alpha amino acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetamides alpha amino acids amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives lactams medium-chain fatty acids monocarboxylic acids and derivatives organic carbonic acids and derivatives organic oxides organopnictogen compounds primary amines pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound amino acid heterocyclic fatty acid fatty acid pyrimidone pyrimidine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organoheterocyclic compound acetamide vinylogous amide carbonic acid derivative azacycle n-acyl-alpha-amino acid heteroaromatic compound secondary amine carboxamide group amino fatty acid secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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