DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:04 UTC
Update Date	2025-03-25 01:01:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02247290
Frequency	0.5
Structure
Chemical Formula	C₂₇H₄₉N₉O₉
Molecular Mass	643.3653
SMILES	CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(=O)O)C(=O)NC(CCC(N)=O)C(=O)O
InChI Key	YGECVBIQUCUQLF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids aspartic acid and derivatives branched fatty acids carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives guanidines hydrocarbon derivatives isoleucine and derivatives leucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides primary carboxylic acid amides propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives guanidine fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide propargyl-type 1,3-dipolar organic compound organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide n-acyl-alpha-amino acid organic 1,3-dipolar compound carboximidamide carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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