DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:39 UTC
Update Date	2025-03-25 00:49:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02173068
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₁NO₁₀
Molecular Mass	351.1165
SMILES	CCC(C)C(NC(=O)OC1C(C(=O)O)OC(O)C(O)C1O)C(=O)O
InChI Key	VNYATTPQOOTMBF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	saccharolipids
Subclass	saccharolipids
Direct Parent	saccharolipids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,2-diols alpha amino acids carbamate esters carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids isoleucine and derivatives methyl-branched fatty acids monosaccharides organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols short-chain hydroxy acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid glucuronic acid or derivatives heterocyclic fatty acid monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal hydroxy fatty acid oxane isoleucine or derivatives organoheterocyclic compound 1,2-diol alcohol carbonic acid derivative pyran carboxylic acid or derivatives methyl-branched fatty acid carbamic acid ester branched fatty acid oxacycle organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound saccharolipid organooxygen compound

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