DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:08 UTC
Update Date	2025-03-25 00:46:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156125
Frequency	0.5
Structure
Chemical Formula	C₁₇H₃₀N₈O₄S
Molecular Mass	442.2111
SMILES	CSCCC(NC(=O)C(N)Cc1c[nH]cn1)C(=O)NC(CCCNC(=N)N)C(=O)O
InChI Key	MIHTTYXBXIRRGV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids arginine and derivatives azacyclic compounds carbonyl compounds carboximidamides carboxylic acids dialkylthioethers guanidines heteroaromatic compounds hydrocarbon derivatives imidazoles imines methionine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound guanidine imine fatty amide alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide imidazole arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives polypeptide sulfenyl compound alpha-amino acid amide azacycle n-acyl-alpha-amino acid dialkylthioether heteroaromatic compound carboximidamide carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound thioether methionine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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