DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:06 UTC
Update Date	2025-03-25 00:45:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149010
Frequency	0.5
Structure
Chemical Formula	C₂₁H₃₇N₇O₇
Molecular Mass	499.2754
SMILES	CC(C)C(NC(=O)C(N)CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)O
InChI Key	NVGCSBQNQNUFGU-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 branched fatty acids carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives glutamic acid and derivatives guanidines heterocyclic fatty acids hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides proline and derivatives propargyl-type 1,3-dipolar organic compounds pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides valine and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid guanidine fatty amide n-acylpyrrolidine fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide propargyl-type 1,3-dipolar organic compound organic oxide 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 polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid valine or derivatives organic 1,3-dipolar compound glutamic acid or derivatives carboximidamide carboxamide group branched fatty acid n-acyl-amine secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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