DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:43 UTC
Update Date	2025-03-25 00:51:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02189287
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₁N₃O₅
Molecular Mass	347.1481
SMILES	CC(C)CC(NC(=O)C(Cc1c[nH]c2ccccc12)[N+](=O)[O-])C(=O)O
InChI Key	QUXGVFGFWYPAJZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	dipeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds benzenoids c-nitro compounds carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives indoles leucine and derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds pyrroles secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid indole allyl-type 1,3-dipolar organic compound fatty amide alpha-amino acid or derivatives organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound c-nitro compound leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound organic oxoazanium organoheterocyclic compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives organic 1,3-dipolar compound carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound organic hyponitrite

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