DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:05 UTC
Update Date	2025-03-25 00:51:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185515
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₆N₈O₃
Molecular Mass	308.1345
SMILES	Nc1nc2nnc(NCCCCC(N)C(=O)O)nc2c(=O)[nH]1
InChI Key	NDAHVIGLINZERU-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	alpha amino acids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2,4-triazines amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives lactams medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds pyrimidones secondary alkylarylamines
Substituents	fatty acyl carbonyl group lactam carboxylic acid amino acid heterocyclic fatty acid fatty acid pyrimidone pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organoheterocyclic compound azacycle heteroaromatic compound secondary amine amino fatty acid secondary aliphatic/aromatic amine monocarboxylic acid or derivatives organic oxygen compound triazine hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound 1,2,4-triazine amine organooxygen compound

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