DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:39 UTC
Update Date	2025-03-21 18:05:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00058959
Frequency	53.4
Structure
Chemical Formula	C₉H₁₂NO₆P
Molecular Mass	261.0402
SMILES	NC(Cc1ccc(O)cc1)C(=O)OP(=O)(O)O
InChI Key	HNBADEJIOZMPLD-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	tyrosine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids acyl monophosphates alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organic phosphoric acids and derivatives organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phosphoethanolamines
Substituents	monocyclic benzene moiety carbonyl group 1-hydroxy-2-unsubstituted benzenoid phosphoethanolamine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives tyrosine or derivatives acyl monophosphate aromatic homomonocyclic compound monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative organooxygen compound acyl phosphate

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