DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:35 UTC
Update Date	2025-03-25 00:48:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02170642
Frequency	0.5
Structure
Chemical Formula	C₃₂H₅₇NO₁₂
Molecular Mass	647.3881
SMILES	CCCCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)OCOC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O
InChI Key	SMAIZXXFHUTKAU-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	glutamic acid and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals alpha amino acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids fatty acid esters glucuronic acid derivatives hydrocarbon derivatives monosaccharides n-acyl amines n-acyl-alpha amino acids 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 n-acyl-alpha amino acid or derivatives alcohol pyran carboxylic acid or derivatives n-acyl-alpha-amino acid glutamic acid or derivatives hydroxy acid carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide fatty acid ester organic oxygen compound pyran carboxylic acid ester secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

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