DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:14 UTC
Update Date	2025-03-21 18:37:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00118193
Frequency	22.1
Structure
Chemical Formula	C₉H₁₈NO₈P
Molecular Mass	299.077
SMILES	CC(C)CC(NC(=O)C(O)COP(=O)(O)O)C(=O)O
InChI Key	AIXFNEIQKDPOPS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	leucine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids fatty acids and conjugates hydrocarbon derivatives monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid monosaccharide fatty acid saccharide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives alcohol n-acyl-alpha-amino acid carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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