DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:55 UTC
Update Date	2025-03-25 00:46:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153272
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₈N₆O₅
Molecular Mass	326.1339
SMILES	NC(=O)CCC(NC(=O)C(Cc1c[nH]cn1)NC(N)=O)C(=O)O
InChI Key	GRIGHUJGFXYSAI-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	dipeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids fatty amides glutamine and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monocarboxylic acids and derivatives n-acyl-alpha amino acids n-carbamoyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid glutamine or derivatives aromatic heteromonocyclic compound fatty amide alpha-amino acid or derivatives organic oxide imidazole n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives carbonic acid derivative alpha-amino acid amide azacycle n-acyl-alpha-amino acid n-carbamoyl-alpha-amino acid heteroaromatic compound carboxamide group n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound

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