DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:05 UTC
Update Date	2025-03-25 00:46:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156006
Frequency	0.5
Structure
Chemical Formula	C₂₈H₅₅N₁₃O₅S
Molecular Mass	685.417
SMILES	CSCCC(NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(N)CCCNC(=N)N)C(N)=O
InChI Key	CZMQYLRXPHGKEZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids arginine and derivatives azacyclic compounds carbonyl compounds carboximidamides carboxylic acids and derivatives dialkylthioethers guanidines hydrocarbon derivatives imines methionine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides sulfenyl compounds tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group guanidine imine fatty amide n-acylpyrrolidine alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide arginine or derivatives tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives polypeptide alpha-amino acid amide sulfenyl compound azacycle n-acyl-alpha-amino acid dialkylthioether carboximidamide carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound thioether methionine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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