DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:36 UTC
Update Date	2025-03-25 00:54:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207189
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₅N₇O₅
Molecular Mass	395.1917
SMILES	Nc1nc(NCCCC(O)C(=O)O)nc2c1ncn2CCCCC(N)C(=O)O
InChI Key	CSAWSLFVMCXVBY-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	delta amino acids and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids alpha hydroxy acids and derivatives amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines
Substituents	fatty acyl carbonyl group carboxylic acid amino acid heterocyclic fatty acid alpha-hydroxy acid monosaccharide fatty acid alpha-amino acid or derivatives imidazopyrimidine medium-chain hydroxy acid pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives medium-chain fatty acid hydroxy fatty acid imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle heteroaromatic compound hydroxy acid secondary amine amino fatty acid secondary aliphatic/aromatic amine organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine primary amine purine organic nitrogen compound amine organooxygen compound

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