DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:21:43 UTC
Update Date	2025-03-25 01:24:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02389222
Frequency	0.5
Structure
Chemical Formula	C₃₆H₆₁N₃O₂₇
Molecular Mass	967.3492
SMILES	CC(=O)NC1C(OC2C(O)C(CO)OC(OC3OC(CO)C(O)C(O)C3NC(=O)CC(N)C(=O)O)C2O)OC(CO)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O
InChI Key	AAPCRJYZEVUKPU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	acylaminosugars
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals acetamides alpha amino acids asparagine and derivatives carbonyl compounds carboxylic acids heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines n-acyl-alpha-hexosamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols saccharolipids secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid fatty amide monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative n-acyl-alpha-hexosamine organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid asparagine or derivatives oxane primary alcohol organoheterocyclic compound acetamide alcohol carboxamide group n-acyl-amine acylaminosugar oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound saccharolipid

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