DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:35 UTC
Update Date	2025-03-25 00:51:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186669
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₁N₅O₇
Molecular Mass	325.0658
SMILES	Nc1c(C(=O)NC(CC(=O)O)C(=O)O)[nH]c2[nH]c(=O)[nH]c(=O)c12
InChI Key	YXOLIWGCVLJIBO-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	aspartic acid and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-heteroaryl carboxamides alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives lactams n-acyl-alpha amino acids organic carbonic acids and derivatives organic oxides organopnictogen compounds primary amines pyrimidinecarboxylic acids pyrimidones pyrrole carboxamides pyrrolo[2,3-d]pyrimidines secondary carboxylic acid amides vinylogous amides
Substituents	carbonyl group lactam carboxylic acid amino acid pyrimidone 2-heteroaryl carboxamide pyrimidine pyrrolopyrimidine organic oxide pyrrolo[2,3-d]pyrimidine pyrrole-2-carboxylic acid or derivatives aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrole-2-carboxamide pyrimidine-6-carboxylic acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide carbonic acid derivative azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group secondary carboxylic acid amide organic oxygen compound pyrrole aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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