DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:25:01 UTC
Update Date	2025-03-21 18:38:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00122430
Frequency	21.1
Structure
Chemical Formula	C₁₇H₃₂N₆O₆
Molecular Mass	416.2383
SMILES	CCC(C)C(NC(=O)C(N)CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)O
InChI Key	QIQABBIDHGQXGA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids arginine and derivatives branched fatty acids carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives glutamic acid and derivatives guanidines hydrocarbon derivatives imines isoleucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid guanidine imine fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide n-acyl-alpha-amino acid glutamic acid or derivatives carboximidamide carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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