DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:50 UTC
Update Date	2025-03-25 01:02:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02253526
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₁N₇O₅
Molecular Mass	415.1604
SMILES	Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)NC(O)CCC(=O)O)cc1)=N2
InChI Key	XPTDFLJUCHOIIM-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	alkanolamines amino acids azacyclic compounds benzamides benzoyl derivatives carbonyl compounds carboxylic acids gamma amino acids and derivatives heteroaromatic compounds hydrocarbon derivatives ketimines monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylalkylamines primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	ketimine monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid gamma amino acid or derivatives imine benzoyl pyrimidone carboxylic acid derivative benzamide pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound alkanolamine vinylogous amide pterin azacycle heteroaromatic compound benzoic acid or derivatives organic 1,3-dipolar compound secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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