DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:03 UTC
Update Date	2025-03-25 00:45:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151234
Frequency	0.5
Structure
Chemical Formula	C₂₇H₄₇N₉O₆
Molecular Mass	593.3649
SMILES	N=C(N)NCCCC(NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1)C(=O)O
InChI Key	MCMZGTLXWXYOFE-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 arginine and derivatives azacyclic compounds carbonyl compounds carboximidamides carboxylic acids dialkylamines guanidines heterocyclic fatty acids hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid guanidine imine fatty amide n-acylpyrrolidine fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide arginine or derivatives 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 alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboximidamide secondary amine carboxamide group n-acyl-amine n-substituted-alpha-amino acid 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 organooxygen compound amine

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