DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:23 UTC
Update Date	2025-03-25 00:45:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149697
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₉N₃O₆PS+
Molecular Mass	388.0727
SMILES	Cc1c(CCOP(=O)(O)O)sc[n+]1Cc1ccc(C(N)C(=O)O)nc1
InChI Key	ICYONEVIQGEKJH-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	alpha amino acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-halopyridines 4,5-disubstituted thiazoles azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines methylpyridines monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives organic cations organic oxides organonitrogen compounds organopnictogen compounds polyhalopyridines
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound polyhalopyridine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 2-halopyridine organic cation organoheterocyclic compound azole azacycle heteroaromatic compound hydroxypyridine methylpyridine 4,5-disubstituted 1,3-thiazole monocarboxylic acid or derivatives pyridine organic oxygen compound phosphoric acid ester monoalkyl phosphate hydrocarbon derivative primary aliphatic amine organic nitrogen compound thiazole organic phosphoric acid derivative alkyl phosphate organooxygen compound

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