DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:24 UTC
Update Date	2025-03-25 00:52:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02193002
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₅N₅O₄
Molecular Mass	303.1907
SMILES	CCCC(O)C(N)C(=O)NC(CCCNC(=N)N)C(=O)O
InChI Key	DCWXCRXCKHCXLV-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 hydroxy fatty acids imines monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary alcohols 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 fatty acid alpha-amino acid or derivatives organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid n-acyl-alpha amino acid or derivatives alcohol 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 secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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