DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:48:28 UTC
Update Date	2025-03-25 01:11:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02312285
Frequency	0.5
Structure
Chemical Formula	C₄₃H₆₄N₁₄O₁₄S₂
Molecular Mass	1064.4168
SMILES	CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC(=O)C(NCCC(N)=O)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O
InChI Key	JCCJWBJSTISJOM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,3-dicarbonyl compounds 1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids azacyclic compounds benzene and substituted derivatives beta amino acids and derivatives carboxylic acids and derivatives cyclic peptides dialkylamines dicarboximides fatty amides hydrocarbon derivatives lactams monoalkylamines n-acyl-alpha amino acids n-acylpyrrolidines n-unsubstituted carboxylic acid imides 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 monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound amino acid or derivatives fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative carboxylic acid imide, n-unsubstituted organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid secondary amine carboxamide group beta amino acid or derivatives n-substituted-alpha-amino acid carboxylic acid imide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound pyrrolidine-2-carboxamide organooxygen compound amine

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