DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:18:14 UTC
Update Date	2025-03-25 01:00:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02242967
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₉N₅O₄
Molecular Mass	273.1437
SMILES	C=C(O)C(NC(=O)C(N)CCCNC(=N)N)C(=O)O
InChI Key	NCCFIKYYFOELQO-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	alpha amino acid amides alpha amino acids arginine and derivatives carbonyl compounds carboximidamides carboxylic acids guanidines hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid guanidine imine fatty amide alpha-amino acid or derivatives organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboximidamide carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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