DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:21 UTC
Update Date	2025-03-25 00:58:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02229537
Frequency	0.5
Structure
Chemical Formula	C₃₄H₆₁NO₁₁
Molecular Mass	659.4245
SMILES	CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	KVOBQPNAZQRBQA-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	acyl glycines
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals alpha amino acids alpha-amino acyl ester of carbohydrates beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids fatty acid esters glucuronic acid derivatives hydrocarbon derivatives monosaccharides n-acyl amines o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid glucuronic acid or derivatives fatty amide o-glucuronide monosaccharide tricarboxylic acid or derivatives 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 pyran carboxylic acid or derivatives alpha-amino acid ester hydroxy acid carboxamide group n-acyl-amine n-acylglycine oxacycle secondary carboxylic acid amide fatty acid ester organic oxygen compound pyran carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

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