DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:47 UTC
Update Date	2025-03-25 00:51:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184796
Frequency	0.5
Structure
Chemical Formula	C₁₈H₃₂N₄O₁₃
Molecular Mass	512.1966
SMILES	N=C(NCCCC(N)C(=O)O)NC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(CO)C(O)C1O
InChI Key	HOJBRYPGMWSRRX-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	aliphatic heteromonocyclic compounds
Alternative Parents	acetals alpha amino acids carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives fatty acyl glycosides of mono- and disaccharides glucuronic acid derivatives guanidines hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imines monoalkylamines monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols short-chain hydroxy acids and derivatives
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide carbonyl group carboxylic acid short-chain hydroxy acid glucuronic acid or derivatives heterocyclic fatty acid guanidine imine monosaccharide fatty acid pyran carboxylic acid saccharide organic oxide acetal arginine or derivatives aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal hydroxy fatty acid oxane primary alcohol organoheterocyclic compound alcohol pyran carboxylic acid or derivatives fatty acyl glycoside carboximidamide oxacycle organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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