DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:46 UTC
Update Date	2025-03-25 00:48:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168772
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₃N₅O₄
Molecular Mass	301.175
SMILES	CC(C)CC(NC(=O)C(N)C(O)C1CN=C(N)N1)C(=O)O
InChI Key	FGFMDGFSNWMURN-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 azacyclic compounds carbonyl compounds carboximidamides carboxylic acids fatty amides guanidines heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imidazolines leucine and derivatives methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid guanidine fatty amide fatty acid alpha-amino acid or derivatives propargyl-type 1,3-dipolar organic compound organic oxide leucine or derivatives aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol methyl-branched fatty acid alpha-amino acid amide azacycle n-acyl-alpha-amino acid organic 1,3-dipolar compound carboximidamide carboxamide group branched fatty acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound 2-imidazoline imidazoline secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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