DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:55 UTC
Update Date	2025-03-25 00:47:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02164531
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₁N₃O₈
Molecular Mass	347.1329
SMILES	CC(NC(CCC(N)=O)C(=O)O)C(=O)NC(CCC(=O)O)C(=O)O
InChI Key	CSCYPLQSGYZVAH-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	aliphatic acyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids amino acids carbonyl compounds carboxylic acids dialkylamines fatty amides glutamic acid and derivatives glutamine and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives amino acid or derivatives amino acid fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives secondary aliphatic amine alpha-amino acid amide n-acyl-alpha-amino acid glutamic acid or derivatives secondary amine carboxamide group n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide organic oxygen compound alanine or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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