DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:20:56 UTC
Update Date	2025-03-21 18:36:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00112596
Frequency	23.6
Structure
Chemical Formula	C₂₈H₄₇N₁₁O₉S₂
Molecular Mass	745.3
SMILES	NCCCCC(NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
InChI Key	GZVIQVQNUMMYBF-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 carbonyl compounds carboxylic acids and derivatives cyclic peptides hydrocarbon derivatives lactams monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic disulfides organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group lactam fatty amide n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative 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 carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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