DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:32 UTC
Update Date	2025-03-25 00:45:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152386
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₄N₆O₇
Molecular Mass	424.1706
SMILES	NC(CCCCNc1cnc2c(ncn2C2OC(CO)C(O)C2O)c(=O)n1)C(=O)O
InChI Key	DBIMBGZLVCSZBL-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	alpha amino acids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,4-diazepines amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary alkylarylamines tetrahydrofurans vinylogous amides
Substituents	fatty acyl carbonyl group carboxylic acid amino acid heterocyclic fatty acid monosaccharide fatty acid medium-chain hydroxy acid saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound secondary amine amino fatty acid secondary aliphatic/aromatic amine oxacycle monocarboxylic acid or derivatives para-diazepine organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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