DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:11 UTC
Update Date	2025-03-25 00:53:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199382
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₇N₅O₈
Molecular Mass	417.186
SMILES	NC(=O)CCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(N)CO)C(=O)O
InChI Key	WMYSYHNMNNYUSG-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 carbonyl compounds carboxylic acids fatty amides glutamine and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds peptides primary alcohols primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides serine and derivatives short-chain hydroxy acids and derivatives tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives heterocyclic fatty acid fatty amide n-acylpyrrolidine fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid pyrrolidine primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide serine or derivatives organooxygen compound

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