DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:43 UTC
Update Date	2025-03-25 00:58:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02230346
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₅N₂O₆PS₂
Molecular Mass	366.0109
SMILES	CCOP(=S)(Oc1ccc([N+](=O)[O-])cc1)SCC(N)C(=O)O
InChI Key	TUERFXZRWBMZBE-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	cysteine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids dithiophosphate o-esters dithiophosphate s-esters hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives nitroaromatic compounds nitrobenzenes organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds organothiophosphorus compounds phenoxy compounds propargyl-type 1,3-dipolar organic compounds sulfenyl compounds
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid allyl-type 1,3-dipolar organic compound organosulfur compound dithiophosphate o-ester organic nitro compound propargyl-type 1,3-dipolar organic compound organothiophosphorus compound organic oxide c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound organic oxoazanium organic dithiophosphate nitrobenzene nitroaromatic compound sulfenyl compound dithiophosphate s-ester organic 1,3-dipolar compound aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound cysteine or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound phenoxy compound organooxygen compound organic hyponitrite

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