DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:57 UTC
Update Date	2025-03-25 00:59:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237720
Frequency	0.5
Structure
Chemical Formula	C₉H₁₆N₆O₂
Molecular Mass	240.1335
SMILES	Nc1ncnc(NCCCCC(N)C(=O)O)n1
InChI Key	WRTUMWKSKCSDJW-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 heteromonocyclic compounds
Alternative Parents	amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids halo-s-triazines heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives n-aliphatic s-triazines organic oxides organopnictogen compounds secondary alkylarylamines
Substituents	fatty acyl n-aliphatic s-triazine carbonyl group amino-1,3,5-triazine carboxylic acid aromatic heteromonocyclic compound amino acid heterocyclic fatty acid fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organoheterocyclic compound azacycle aminotriazine heteroaromatic compound secondary amine amino fatty acid secondary aliphatic/aromatic amine monocarboxylic acid or derivatives organic oxygen compound halo-s-triazine triazine hydrocarbon derivative 1,3,5-triazine primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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