DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:25 UTC
Update Date	2025-03-25 00:51:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188577
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₆N₄O₇
Molecular Mass	374.1801
SMILES	CC(NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(N)C(C)O)C(=O)O
InChI Key	HSMULFGGFWJBLB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds peptides primary alcohols proline and derivatives pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides serine and derivatives tertiary carboxylic acid amides
Substituents	carbonyl group carboxylic acid n-acylpyrrolidine 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 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 n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide serine or derivatives organooxygen compound

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