DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:13 UTC
Update Date	2025-03-21 18:41:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00132318
Frequency	19.1
Structure
Chemical Formula	C₁₇H₂₇N₇O₆
Molecular Mass	425.2023
SMILES	Nc1ncnc2c1ncn2C1OC(CNCCCCC(N)C(=O)O)C(O)C(O)C1O
InChI Key	IKFOZLJDVDQVOA-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	amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines 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 oxanes purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols
Substituents	fatty acyl carbonyl group carboxylic acid amino acid heterocyclic fatty acid monosaccharide fatty acid imidazopyrimidine medium-chain hydroxy acid pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid oxane imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol secondary aliphatic amine azacycle heteroaromatic compound secondary amine amino fatty acid oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine primary amine purine organic nitrogen compound amine organooxygen compound

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