DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:14 UTC
Update Date	2025-03-25 00:48:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02167565
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₀NO₁₃P
Molecular Mass	417.0672
SMILES	CC(=O)NC1C(OP(=O)(O)O)C(CO)OC(O)(C(=O)O)C1OC(C)C(=O)O
InChI Key	YMQAIOBQDOHCRS-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	acetamides alpha hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkyl ethers dicarboxylic acids and derivatives gamma amino acids and derivatives hemiacetals hydrocarbon derivatives monoalkyl phosphates monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary carboxylic acid amides
Substituents	carbonyl group ether carboxylic acid gamma amino acid or derivatives alpha-hydroxy acid carboxylic acid derivative pyran carboxylic acid dialkyl ether organic oxide aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal oxane primary alcohol organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide phosphoric acid ester pyran monoalkyl phosphate hexose phosphate dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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