DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:19:59 UTC
Update Date	2025-03-25 01:01:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02247112
Frequency	0.5
Structure
Chemical Formula	C₂₆H₄₈N₈O₇
Molecular Mass	584.3646
SMILES	CCC(C)C(NC(=O)C(NC(=O)C(N)CCCN=C(N)N)C(C)C)C(=O)N1CCCC1C(=O)NC(C(=O)O)C(C)O
InChI Key	JXAQMKPBKACASR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds beta hydroxy acids and derivatives branched fatty acids carbonyl compounds carboximidamides carboxylic acids guanidines heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids isoleucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides proline and derivatives propargyl-type 1,3-dipolar organic compounds pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives tertiary carboxylic acid amides valine and derivatives
Substituents	carboxylic acid short-chain hydroxy acid alpha-amino acid or derivatives alpha peptide beta-hydroxy acid organonitrogen compound alpha-amino acid hydroxy fatty acid isoleucine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid valine or derivatives organic 1,3-dipolar compound branched fatty acid n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide fatty acyl carbonyl group heterocyclic fatty acid guanidine fatty amide n-acylpyrrolidine fatty acid carboxylic acid derivative propargyl-type 1,3-dipolar organic compound organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organopnictogen compound pyrrolidine proline or derivatives carboximidamide hydroxy acid carboxamide group n-acyl-amine monocarboxylic acid or derivatives organic oxygen compound secondary alcohol organic nitrogen compound organooxygen compound

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