DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:45:57 UTC
Update Date	2025-03-25 01:10:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02306349
Frequency	0.5
Structure
Chemical Formula	C₃₁H₅₂N₂O₂₉P₂
Molecular Mass	978.2131
SMILES	CC(=O)NC1C(O)CC(COC2(C(=O)O)CC(OC3(C(=O)O)CC(OP(=O)(O)OCCN)C(O)C(C(O)CO)O3)C(O)C(C(O)CO)O2)C(OP(=O)(O)O)C1OC(=O)C(O)C(O)C=O
InChI Key	YQVXWNKUKQBVOS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	c-glucuronides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alpha-hydroxyaldehydes beta hydroxy acids and derivatives beta-hydroxy aldehydes carboxylic acid esters carboxylic acids cyclitols and derivatives cyclohexanols dialkyl phosphates fatty acid esters hydrocarbon derivatives ketals monoalkyl phosphates monoalkylamines monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phosphoethanolamines primary alcohols pyran carboxylic acids secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl beta-hydroxy aldehyde carbonyl group carboxylic acid monosaccharide tricarboxylic acid or derivatives carboxylic acid derivative pyran carboxylic acid phosphoethanolamine beta-hydroxy acid organic oxide alpha-hydroxyaldehyde acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives cyclohexanol aldehyde cyclitol or derivatives hydroxy acid cyclic alcohol carboxamide group oxacycle secondary carboxylic acid amide fatty acid ester dialkyl phosphate phosphoric acid ester pyran monoalkyl phosphate carboxylic acid ester secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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