DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:42 UTC
Update Date	2025-03-25 00:56:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02221472
Frequency	0.5
Structure
Chemical Formula	C₉H₁₀N₆O₄
Molecular Mass	266.0764
SMILES	O=C(O)CCC(Nc1ncnn2ncnc12)C(=O)O
InChI Key	HFJRRMKBBYWPBR-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	glutamic acid and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2,4-triazines alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams organic oxides organopnictogen compounds secondary alkylarylamines triazoles
Substituents	triazole carbonyl group carboxylic acid amino acid organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound azole 1,2,4-triazole azacycle heteroaromatic compound glutamic acid or derivatives secondary amine secondary aliphatic/aromatic amine organic oxygen compound dicarboxylic acid or derivatives triazine hydrocarbon derivative organic nitrogen compound 1,2,4-triazine organooxygen compound amine

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