DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:22 UTC
Update Date	2025-03-25 00:50:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02181636
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₅NO₇
Molecular Mass	261.0849
SMILES	O=C(O)CCCNC1=C(O)C(C(O)CO)OC1=O
InChI Key	IYVIAWLXKCYGKR-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 heteromonocyclic compounds
Alternative Parents	1,2-diols alpha amino acids amino acids butenolides carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives dihydrofurans enoate esters fatty acyls heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids lactones monosaccharides organic oxides organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols short-chain hydroxy acids and derivatives vinylogous acids
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid heterocyclic fatty acid gamma amino acid or derivatives monosaccharide alpha-amino acid or derivatives lactone alpha,beta-unsaturated carboxylic ester 2-furanone saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid primary alcohol organoheterocyclic compound 1,2-diol dihydrofuran enoate ester alcohol secondary aliphatic amine secondary amine oxacycle vinylogous acid organic oxygen compound carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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