DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:57:42 UTC
Update Date	2025-03-25 01:15:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02333831
Frequency	0.5
Structure
Chemical Formula	C₄₅H₇₃N₁₁O₁₁S₂
Molecular Mass	1007.4932
SMILES	CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(CC(C)C)N2CCCC2C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O
InChI Key	XTCISVXILNPLBR-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-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino acids azacyclic compounds benzene and substituted derivatives branched fatty acids carbonyl compounds carboxylic acids cyclic peptides fatty amides heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids lactams medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-alkylpyrrolidines organic disulfides organic oxides organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides trialkylamines
Substituents	monocyclic benzene moiety lactam carboxylic acid amino acid or derivatives alpha-amino acid or derivatives medium-chain hydroxy acid organonitrogen compound alpha-amino acid hydroxy fatty acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid tertiary aliphatic amine branched fatty acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic disulfide phenol hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide amine primary carboxylic acid amide fatty acyl carbonyl group aromatic heteromonocyclic compound amino acid heterocyclic fatty acid fatty amide 1-hydroxy-2-unsubstituted benzenoid fatty acid carboxylic acid derivative organic oxide organopnictogen compound medium-chain fatty acid pyrrolidine tertiary amine proline or derivatives n-alkylpyrrolidine carboxamide group monocarboxylic acid or derivatives organic oxygen compound cyclic alpha peptide benzenoid organic nitrogen compound organooxygen compound

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