Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:133952 - tetraacetic acid lactone
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
tetraacetic acid lactone
ChEBI ID
CHEBI:133952
Definition
A member of the class of 2-pyranones that is 2
H
-pyran-2-one which is substituted at positions 4 and 6 by hydroxy and acetonyl groups, respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Julian Brandl
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C8H8O4
Net Charge
0
Average Mass
168.147
Monoisotopic Mass
168.04226
InChI
InChI=1S/C8H8O4/c1-5(9)2-7-3-6(10)4-8(11)12-7/h3-4,10H,2H2,1H3
InChIKey
STVPTNMFKNDFLX-UHFFFAOYSA-N
SMILES
O1C(=CC(=CC1=O)O)CC(C)=O
Metabolite of Species
Details
Talaromyces stipitatus
(NCBI:txid28564)
= Penicillium stipitatum (see https://data.nbn.org.uk/Taxa/NHMSYS0001492104). Found when tropolone biosynthesis was inhibited by ethionine See:
PubMed
Roles Classification
Biological Role
(s):
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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)-2
H
-pyran-2-one
Synonyms
Sources
4-hydroxy-6-(2-oxopropyl)pyran-2-one
ChEBI
6-acetonyl-4-hydroxy-2-pyrone
ChEBI
6-acetonyl-4-hydroxy-α-pyrone
ChEBI
tetraacetate lactone
UniProt
Tetraessigsaeurelacton
ChEBI
Manual Xrefs
Databases
20037751
ChemSpider
54688211
PubChem
View more database links
Registry Numbers
Types
Sources
10310-07-3
CAS Registry Number
PubChem
1283336
Reaxys Registry Number
Reaxys
Citations
Types
Sources
15631450
PubMed citation
Europe PMC
27729920
PubMed citation
Europe PMC
6040822
PubMed citation
Europe PMC
Last Modified
12 February 2020