DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:05:19 UTC
Update Date	2025-03-25 00:55:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02213675
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₀N₈O₆
Molecular Mass	502.2288
SMILES	CN1c2c(nc(N)[nH]c2=O)NCC1CNc1ccc(C(=O)NC(CCC(=O)O)CC(N)C(=O)O)cc1
InChI Key	XBUHPKOVYKRVNH-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 benzamides benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines dicarboxylic acids and derivatives gamma amino acids and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives imidolactams lactams medium-chain fatty acids monoalkylamines organic oxides organopnictogen compounds phenylalkylamines pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group lactam carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid gamma amino acid or derivatives benzoyl fatty acid pyrimidone alpha-amino acid or derivatives carboxylic acid derivative benzamide pyrimidine organic oxide aromatic heteropolycyclic compound tertiary aliphatic/aromatic amine organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid dialkylarylamine imidolactam tertiary amine vinylogous amide pterin azacycle heteroaromatic compound benzoic acid or derivatives secondary amine carboxamide group amino fatty acid secondary aliphatic/aromatic amine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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