DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:37 UTC
Update Date	2025-03-25 00:57:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223588
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₉N₅O₆
Molecular Mass	353.1335
SMILES	N=C(N)NCCCC(NC(=O)Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O
InChI Key	DNJOLUWOJOWSIS-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	arginine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids carbonyl compounds carboximidamides carboxylic acids guanidines hydrocarbon derivatives imines monocarboxylic acids and derivatives n-acyl-alpha amino acids nitroaromatic compounds nitrobenzenes nitrophenols organic oxides organic oxoanionic compounds organic oxoazanium compounds organopnictogen compounds phenylacetamides propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid guanidine imine allyl-type 1,3-dipolar organic compound 1-hydroxy-2-unsubstituted benzenoid organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide arginine or derivatives c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound organic oxoazanium nitrophenol phenylacetamide nitrobenzene n-acyl-alpha amino acid or derivatives nitroaromatic compound n-acyl-alpha-amino acid organic 1,3-dipolar compound carboximidamide carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound organic hyponitrite

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