DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:16:13 UTC
Update Date	2025-03-21 18:34:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00101025
Frequency	27.1
Structure
Chemical Formula	C₂₁H₂₅N₇O₆
Molecular Mass	471.1866
SMILES	Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(CCC(=O)O)NC(=O)CCC(=O)O)cc1)=N2
InChI Key	NEVBNVACDWJCPV-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	amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives gamma amino acids and derivatives heteroaromatic compounds hydrocarbon derivatives ketimines n-acyl amines organic oxides organopnictogen compounds phenylalkylamines primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl ketimine monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid gamma amino acid or derivatives imine fatty amide pyrimidone carboxylic acid derivative pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound secondary amine carboxamide group n-acyl-amine secondary aliphatic/aromatic amine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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