DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:23 UTC
Update Date	2025-03-25 00:57:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223061
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₂N₄O₈
Molecular Mass	362.1438
SMILES	NC(CCCCNC(=C[N+](=O)[O-])NC(CCC(=O)O)C(=O)O)C(=O)O
InChI Key	OPWJZBCUZRVOFI-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	glutamic acid and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amino acids c-nitro compounds carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monoalkylamines organic oxides organic oxoanionic compounds organic oxoazanium compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds tricarboxylic acids and derivatives
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid amino acid allyl-type 1,3-dipolar organic compound tricarboxylic acid or derivatives organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound organic oxoazanium secondary aliphatic amine organic 1,3-dipolar compound glutamic acid or derivatives secondary amine organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine organic hyponitrite

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