DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:55:27 UTC
Update Date	2025-03-24 21:24:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01766934
Frequency	0.7
Structure
Chemical Formula	C₃₃H₅₇NO₃₃P₂
Molecular Mass	1057.2288
SMILES	NCCOP(=O)(O)OC1CC(OC2CC(OC3CC(OCC4C(OP(=O)(O)O)OC(C(O)CO)C4O)(C(=O)O)OC(C(O)CO)C3O)(C(=O)O)OC(C(O)CO)C2O)(C(=O)O)OC(C(O)CO)C1O
InChI Key	ITLZIHRMSSFNFV-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	carbonyl compounds carboxylic acids dialkyl phosphates hydrocarbon derivatives ketals monoalkyl phosphates monoalkylamines monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phosphoethanolamines primary alcohols pyran carboxylic acids secondary alcohols tetrahydrofurans tricarboxylic acids and derivatives
Substituents	carbonyl group carboxylic acid monosaccharide tricarboxylic acid or derivatives carboxylic acid derivative pyran carboxylic acid phosphoethanolamine organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound c-glucuronide alcohol pyran carboxylic acid or derivatives tetrahydrofuran oxacycle dialkyl phosphate phosphoric acid ester pyran monoalkyl phosphate secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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