DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:07 UTC
Update Date	2025-03-25 00:56:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02220148
Frequency	0.5
Structure
Chemical Formula	C₁₆H₃₁N₇O₅S
Molecular Mass	433.2107
SMILES	CSCCC(N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(N)=O)C(=O)O
InChI Key	IIPHCNKHEZYSNE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids arginine and derivatives carbonyl compounds carboximidamides carboxylic acids dialkylthioethers fatty acids and conjugates glutamine and derivatives guanidines hydrocarbon derivatives imines methionine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides primary carboxylic acid amides secondary carboxylic acid amides sulfenyl compounds
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives guanidine imine fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives polypeptide sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether 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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