DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:04 UTC
Update Date	2025-03-25 00:50:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180946
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₉N₃O₆
Molecular Mass	313.1274
SMILES	O=C(O)CCC1NCC(C(=O)N2CCCC2C(=O)O)NC1=O
InChI Key	CZTXTTDVBBENOP-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 acids amino acids azacyclic compounds beta amino acids and derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives lactams n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides piperazine carboxamides piperazines proline and derivatives pyrrolidine carboxylic acids secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	carbonyl group lactam carboxylic acid amino acid or derivatives amino acid n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide piperazine piperazine-2-carboxamide pyrrolidine carboxylic acid tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine polypeptide azacycle n-acyl-alpha-amino acid secondary amine carboxamide group beta amino acid or derivatives secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound 1,4-diazinane dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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