DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:02 UTC
Update Date	2025-03-21 18:01:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00033799
Frequency	127.9
Structure
Chemical Formula	C₁₀H₁₉N₅O₄
Molecular Mass	273.1437
SMILES	N=C(N)NCCCC(=O)NC(CCC(N)=O)C(=O)O
InChI Key	MMCDHSCTWJEOFO-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	glutamine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboximidamides carboxylic acids fatty acids and conjugates gamma amino acids and derivatives guanidines hydrocarbon derivatives imines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives gamma amino acid or derivatives guanidine imine fatty amide fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboximidamide carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound

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