DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:14 UTC
Update Date	2025-03-25 00:56:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02218072
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₁N₅O₄
Molecular Mass	299.1594
SMILES	N=C(N)NCCCC(=O)N1CCCC1C(=O)NCC(=O)O
InChI Key	OMWUZFRWQXMNCI-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	acyl glycines
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboximidamides carboxylic acids dipeptides gamma amino acids and derivatives guanidines hydrocarbon derivatives imines monocarboxylic acids and derivatives n-acylpyrrolidines organic oxides organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	carbonyl group carboxylic acid gamma amino acid or derivatives guanidine imine n-acylpyrrolidine alpha peptide organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound proline or derivatives alpha-amino acid amide azacycle carboximidamide carboxamide group n-acylglycine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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