DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:24:27 UTC
Update Date	2025-03-25 01:50:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02535745
Frequency	0.5
Structure
Chemical Formula	C₄₇H₈₂NO₄₁P
Molecular Mass	1347.41
SMILES	CC(=O)NC1C(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(C(O)COC2OC(C(O)CO)C(OP(=O)(O)O)C(O)C2O)C(O)C1OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(CO)O1
InChI Key	LXURZGWORJNMPV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	hexose phosphates
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,3-dioxepanes acetals acetamides alkyl glycosides alpha-hydroxyaldehydes beta-hydroxy aldehydes carboxylic acid orthoesters carboxylic acids and derivatives fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives monoalkyl phosphates monosaccharides n-acyl-alpha-hexosamines organic oxides organonitrogen compounds organopnictogen compounds ortho esters oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide 1,3-dioxepane beta-hydroxy aldehyde carbonyl group ortho ester carboxylic acid orthoester carboxylic acid derivative n-acyl-alpha-hexosamine organic oxide alpha-hydroxyaldehyde acetal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound orthocarboxylic acid derivative oxane primary alcohol organoheterocyclic compound acetamide alcohol fatty acyl glycoside aldehyde carboxamide group dioxepane oxacycle secondary carboxylic acid amide phosphoric acid ester monoalkyl phosphate hexose phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate alkyl glycoside

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