DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:46:23 UTC
Update Date	2025-03-25 01:10:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02307369
Frequency	0.5
Structure
Chemical Formula	C₃₈H₆₆N₁₄O₁₁S₂
Molecular Mass	958.4477
SMILES	CCC(C)C1NC(CCC(N)=O)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC(CCCCN)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O
InChI Key	FJTXTFUKIWDKLG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkylamines hydrocarbon derivatives lactams monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic disulfides organic oxides 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 amino acid or derivatives 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 secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid secondary amine carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound organic disulfide hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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