DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:03 UTC
Update Date	2025-03-25 00:59:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237937
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₅NO₇
Molecular Mass	261.0849
SMILES	O=C(O)CCC(=O)C(CCC(=O)O)NCC(=O)O
InChI Key	HRNZHZYGEYZABH-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	alpha amino acids amino acids carboxylic acids dialkylamines gamma-keto acids and derivatives hydrocarbon derivatives ketones organic oxides organopnictogen compounds tricarboxylic acids and derivatives
Substituents	aliphatic acyclic compound secondary aliphatic amine carbonyl group carboxylic acid amino acid gamma amino acid or derivatives tricarboxylic acid or derivatives alpha-amino acid or derivatives secondary amine gamma-keto acid ketone organic oxide organic oxygen compound keto acid organonitrogen compound alpha-amino acid organopnictogen compound hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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