DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:47 UTC
Update Date	2025-03-25 00:47:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02164201
Frequency	0.5
Structure
Chemical Formula	C₂₂H₄₂N₈O₆
Molecular Mass	514.3227
SMILES	CC(O)C(N)C(=O)NC(CCCCN)C(=O)N1CCCC(C(=O)NC(CCCNC(=N)N)C(=O)O)C1
InChI Key	JOWXREWSCBVMJK-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 arginine and derivatives azacyclic compounds carbonyl compounds carboximidamides carboxylic acids guanidines heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imines monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpiperidines organic oxides organopnictogen compounds piperidinecarboxamides secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid guanidine imine fatty amide fatty acid alpha-amino acid or derivatives organic oxide arginine or derivatives tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid piperidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid piperidinecarboxamide carboximidamide 3-piperidinecarboxamide carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide n-acyl-piperidine monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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