DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:52 UTC
Update Date	2025-03-25 00:51:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185012
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₈N₆O₅
Molecular Mass	360.2121
SMILES	N=C(N)NCCCC(NC(=O)C(N)CCCCNCC(=O)O)C(=O)O
InChI Key	DZZSTYNOIWOHNK-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 amino acids arginine and derivatives carbonyl compounds carboximidamides carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty acids and conjugates guanidines hydrocarbon derivatives imines monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid or derivatives amino acid guanidine imine fatty amide fatty acid alpha-amino acid or derivatives organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives secondary aliphatic amine alpha-amino acid amide n-acyl-alpha-amino acid carboximidamide secondary amine carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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