Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 21:17:09 UTC
Update Date2024-04-30 19:33:51 UTC
Metabolite IDMMDBc0003181
Metabolite Identification
Common Name3-(Hydroxyacetyl)-indole
DescriptionHydroxymethyl indol-3-yl ketone belongs to the class of organic compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. Hydroxymethyl indol-3-yl ketone has been detected, but not quantified in, a few different foods, such as common mushrooms (Agaricus bisporus), mushrooms, and oyster mushrooms (Pleurotus ostreatus). This could make hydroxymethyl indol-3-yl ketone a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Hydroxymethyl indol-3-yl ketone.
Structure
Synonyms
ValueSource
3-(Hydroxyacetyl)indoleChEMBL, HMDB, MeSH
3-(Hydroxylacetyl)-indoleChEMBL, HMDB
2-Hydroxy-1-(1H-indol-3-yl)-ethanoneHMDB
2-Hydroxy-1-(1H-indol-3-yl)ethanoneHMDB
2-Hydroxy-1-(1H-indol-3-yl)ethanone, 9ciHMDB
3-GlyceroindoleHMDB
Hydroxymethyl indol-3-yl ketone, 8ciHMDB
INDOLE-3-ketolHMDB
Molecular FormulaC10H9NO2
Average Mass175.184
Monoisotopic Mass175.063328537
IUPAC Name2-hydroxy-1-(1H-indol-3-yl)ethan-1-one
Traditional Name2-hydroxy-1-(1H-indol-3-yl)ethanone
CAS Registry NumberNot Available
SMILES
OCC(=O)C1=CNC2=CC=CC=C12
InChI Identifier
InChI=1S/C10H9NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-5,11-12H,6H2
InChI KeyIBLZDDPFMAFWKP-UHFFFAOYSA-N