DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:51:13 UTC
Update Date	2025-03-25 01:36:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02458212
Frequency	0.5
Structure
Chemical Formula	C₄₇H₇₁N₁₅O₁₃S₂
Molecular Mass	1117.4797
SMILES	CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NCC(=O)N2CCCC2C(=O)NC(=O)CCCN=C(N)N)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O
InChI Key	SRCJJWDKDYAQDI-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 azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids and derivatives cyclic peptides dicarboximides gamma amino acids and derivatives guanidines hydrocarbon derivatives lactams monoalkylamines n-acyl amines 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 propargyl-type 1,3-dipolar organic compounds 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 gamma amino acid or derivatives guanidine fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative propargyl-type 1,3-dipolar organic compound 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 polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid organic 1,3-dipolar compound carboximidamide carboxamide group n-acyl-amine 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 pyrrolidine-2-carboxamide organooxygen compound

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