DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:18:44 UTC
Update Date	2025-03-25 01:00:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02244128
Frequency	0.5
Structure
Chemical Formula	C₂₇H₄₉NO₉
Molecular Mass	531.3407
SMILES	CCCCCCCCCCCC=CC(O)C(CCCC)NCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	SDPIMBGFHUSGHC-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	alpha-amino acyl ester of carbohydrates
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals alkyl glycosides alpha amino acids amino acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty acyl glycosides of mono- and disaccharides glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide carbonyl group carboxylic acid glucuronic acid or derivatives amino acid o-glucuronide monosaccharide pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound alcohol secondary aliphatic amine pyran carboxylic acid or derivatives fatty acyl glycoside hydroxy acid secondary amine oxacycle organic oxygen compound pyran carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine alkyl glycoside

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