DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:02 UTC
Update Date	2025-03-21 18:38:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00120054
Frequency	21.7
Structure
Chemical Formula	C₁₀H₂₀N₂O₁₄P₂
Molecular Mass	454.039
SMILES	NC(CC(=O)NC1C(OP(=O)(O)OP(=O)(O)O)OC(CO)C(O)C1O)C(=O)O
InChI Key	KGBNNBSIULBEMW-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	alpha amino acids asparagine and derivatives carbonyl compounds carboxylic acids fatty acids and conjugates hydrocarbon derivatives monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines n-acyl-alpha-hexosamines organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid fatty amide monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative n-acyl-alpha-hexosamine organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives oxane primary alcohol organoheterocyclic compound alcohol carboxamide group n-acyl-amine organic pyrophosphate acylaminosugar oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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