EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:133952 - tetraacetic acid lactone

ChEBI IDCHEBI:133952
ChEBI Nametetraacetic acid lactone
Stars
DefinitionA member of the class of 2-pyranones that is 2H-pyran-2-one which is substituted at positions 4 and 6 by hydroxy and acetonyl groups, respectively.
Last Modified12 February 2020
SubmitterJubra
DownloadsMolfile
FormulaC8H8O4
Net Charge0
Average Mass168.148
Monoisotopic Mass168.04226
SMILESCC(=O)Cc1cc(O)cc(=O)o1
InChIInChI=1S/C8H8O4/c1-5(9)2-7-3-6(10)4-8(11)12-7/h3-4,10H,2H2,1H3
InChIKeySTVPTNMFKNDFLX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Talaromyces stipitatus (ncbitaxon:28564) - PubMed (6040822) = Penicillium stipitatum (see https://data.nbn.org.uk/Taxa/NHMSYS0001492104). Found when tropolone biosynthesis was inhibited by ethionine
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
tetraacetic acid lactone (CHEBI:133952) has role fungal metabolite (CHEBI:76946)
tetraacetic acid lactone (CHEBI:133952) is a 2-pyranones (CHEBI:75885)
tetraacetic acid lactone (CHEBI:133952) is a ketone (CHEBI:17087)
IUPAC Name 
4-hydroxy-6-(2-oxopropyl)-2H-pyran-2-one
Synonyms  Source
4-hydroxy-6-(2-oxopropyl)pyran-2-oneChEBI
6-acetonyl-4-hydroxy-α-pyroneChEBI
TetraessigsaeurelactonChEBI
6-acetonyl-4-hydroxy-2-pyroneChEBI
UniProt Name  Source
tetraacetate lactoneUniProt
Manual XrefsDatabases
54688211PubChem Compound
20037751ChemSpider
Registry NumbersSources
Reaxys:1283336Reaxys
CAS:10310-07-3PubChem Compound
Citations