DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:06 UTC
Update Date	2025-03-25 00:57:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226829
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₇N₇O₆
Molecular Mass	471.2805
SMILES	CC(C)CC(NC(=O)C(N)CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)O
InChI Key	OURPZAZYFXFUBI-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 azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboximidamides carboxylic acids guanidines hydrocarbon derivatives leucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides primary alcohols proline and derivatives propargyl-type 1,3-dipolar organic compounds pyrrolidinecarboxamides secondary carboxylic acid amides serine and derivatives tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid guanidine fatty amide n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative alpha peptide propargyl-type 1,3-dipolar organic compound beta-hydroxy acid organic oxide leucine or derivatives 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 organic 1,3-dipolar compound carboximidamide hydroxy acid carboxamide group n-acyl-amine 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 serine or derivatives organooxygen compound

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