DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:42 UTC
Update Date	2025-03-25 00:46:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152745
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₄N₆O₃
Molecular Mass	300.191
SMILES	N=C(N)NCCCC(NC(=O)C1CCC(CN)N1)C(=O)O
InChI Key	AIXNTRRWGUPNPK-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 heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids arginine and derivatives azacyclic compounds carbonyl compounds carboximidamides carboxylic acids dialkylamines guanidines heterocyclic fatty acids hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid guanidine imine fatty acid alpha-amino acid or derivatives organic oxide arginine or derivatives aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboximidamide secondary amine carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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