DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-21 15:32:36 UTC
Update Date	2025-03-25 01:05:42 UTC
HMDB ID	HMDB0002150
Metabolite Identification
DeepMet ID	DMID02275875
Name	O-b-D-glucopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-[6-deoxy-a-L-galactopyranosyl-(1->4)]-O-b-D-galactopyranosyl-(1->4)-O-[6-deoxy-a-L-galactopyranosyl-(1->3)]-D-Glucose
Frequency	0.5
Structure
Chemical Formula	C₃₉H₆₇NO₂₈
Molecular Mass	997.385
SMILES	CC(=O)NC1C(OC2C(O)C(OC(C(O)CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C=O)CC(CO)C2OC2OC(C)C(O)C(O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChI Key	RNJJNIREQYKQIV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	n-acyl-alpha-hexosamines
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals acetamides alkyl glycosides alpha-hydroxyaldehydes carboxylic acids and derivatives cyclitols and derivatives cyclohexanols dialkyl ethers fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary carboxylic acid amides
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide carbonyl group ether monosaccharide carboxylic acid derivative dialkyl ether n-acyl-alpha-hexosamine organic oxide alpha-hydroxyaldehyde acetal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide alcohol fatty acyl glycoside cyclohexanol aldehyde cyclitol or derivatives cyclic alcohol carboxamide group oxacycle secondary carboxylic acid amide secondary alcohol hydrocarbon derivative organic nitrogen compound alkyl glycoside

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