DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:25:20 UTC
Update Date	2025-03-21 18:38:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00123111
Frequency	21.0
Structure
Chemical Formula	C₁₇H₃₃N₇O₅
Molecular Mass	415.2543
SMILES	CC(C)CC(N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(N)=O)C(=O)O
InChI Key	GRZSCTXVCDUIPO-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 branched fatty acids carbonyl compounds carboximidamides carboxylic acids glutamine and derivatives guanidines hydrocarbon derivatives imines leucine 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
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 carboxylic acid derivative alpha peptide organic oxide arginine or derivatives leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide n-acyl-alpha-amino acid carboximidamide carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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