DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:59 UTC
Update Date	2025-03-25 00:59:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237801
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₆N₈O₅
Molecular Mass	364.1244
SMILES	Nc1nc2c(c(=O)[nH]1)n1c(=O)[nH]c(=O)nc1n2CCCCC(N)C(=O)O
InChI Key	BXGIFZPNAKEYSG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	imidazopyrimidines
Subclass	purines and purine derivatives
Direct Parent	hypoxanthines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids halo-s-triazines heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives imidazoles lactams medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds purines and purine derivatives pyrimidones triazinones vinylogous amides
Substituents	fatty acyl carbonyl group lactam carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid fatty acid pyrimidone alpha-amino acid or derivatives carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid azole n-substituted imidazole vinylogous amide carbonic acid derivative azacycle heteroaromatic compound amino fatty acid monocarboxylic acid or derivatives organic oxygen compound halo-s-triazine triazine hypoxanthine hydrocarbon derivative 1,3,5-triazine primary aliphatic amine primary amine organic nitrogen compound amine triazinone organooxygen compound

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