DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:12 UTC
Update Date	2025-03-25 01:01:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02247606
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₁N₇O₃
Molecular Mass	441.2488
SMILES	Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(CCCCCCCC(N)C(=O)O)cc1)=N2
InChI Key	QMNUTFQCTFWQTQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pteridines and derivatives
Subclass	pterins and derivatives
Direct Parent	pterins and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives ketimines medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylalkylamines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines vinylogous amides
Substituents	fatty acyl ketimine monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid imine fatty acid pyrimidone alpha-amino acid or derivatives carboxylic acid derivative pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound secondary amine amino fatty acid secondary aliphatic/aromatic amine monocarboxylic acid or derivatives organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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