DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:54:08 UTC
Update Date	2025-03-21 18:04:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00048457
Frequency	68.4
Structure
Chemical Formula	C₁₁H₂₃N₅O₃
Molecular Mass	273.1801
SMILES	N=C(N)NCCCCC(NC(=O)CCCN)C(=O)O
InChI Key	XQJHIHUEVCTKCN-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amino fatty acids carbonyl compounds carboximidamides carboxylic acids gamma amino acids and derivatives guanidines hydrocarbon derivatives imines medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives guanidine imine fatty amide fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid n-acyl-alpha-amino acid carboximidamide carboxamide group amino fatty acid n-acyl-amine 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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