DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:09 UTC
Update Date	2025-03-21 18:05:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00060168
Frequency	52.1
Structure
Chemical Formula	C₇H₁₁NO₇
Molecular Mass	221.0536
SMILES	O=C(O)C(O)CCNC(C(=O)O)C(=O)O
InChI Key	RTNCXUJBMXTCPT-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	gamma amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	1,3-dicarbonyl compounds alpha amino acids alpha hydroxy acids and derivatives amino acids carboxylic acids dialkylamines hydrocarbon derivatives monosaccharides organic oxides organopnictogen compounds secondary alcohols tricarboxylic acids and derivatives
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid amino acid gamma amino acid or derivatives alpha-hydroxy acid monosaccharide tricarboxylic acid or derivatives alpha-amino acid or derivatives saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound alcohol secondary aliphatic amine hydroxy acid secondary amine organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound amine

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