DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:10:20 UTC
Update Date	2025-03-21 18:31:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00086861
Frequency	32.8
Structure
Chemical Formula	C₁₇H₂₇N₅O₄
Molecular Mass	365.2063
SMILES	CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCCN1)C(=O)O
InChI Key	STASJMBVVHNWCG-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 amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles leucine and derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide imidazole leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound secondary amine carboxamide group n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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