DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:39 UTC
Update Date	2025-03-25 00:49:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02173099
Frequency	0.5
Structure
Chemical Formula	C₁₉H₃₂N₄O₆
Molecular Mass	412.2322
SMILES	CCC(C)C(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C1CCCN1)C(=O)O
InChI Key	VDGPFEYQBPQMGZ-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 amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids isoleucine and derivatives methyl-branched fatty acids monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides primary alcohols proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides short-chain hydroxy acids and derivatives tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid or derivatives amino acid heterocyclic fatty acid 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 isoleucine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol secondary aliphatic amine polypeptide methyl-branched fatty acid alpha-amino acid amide azacycle n-acyl-alpha-amino acid secondary amine carboxamide group branched fatty acid 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 amine

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