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CHEBI:53050 - trimellitic anhydride

Default Structure
ChEBI IDCHEBI:53050
ChEBI Nametrimellitic anhydride
Stars
DefinitionA 2-benzofuran compound having oxo groups at the 1- and 3-positions and a carboxy substituent at the 5-position; the cyclic anhydride formed from the carboxy groups at the 1- and 2-positions of trimellitic acid.
Last Modified6 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC9H4O5
Net Charge0
Average Mass192.126
Monoisotopic Mass192.00587
SMILESO=C(O)c1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C9H4O5/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3H,(H,10,11)
InChIKeySRPWOOOHEPICQU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
ChEBI Ontology
Outgoing Relation(s)
trimellitic anhydride (CHEBI:53050) has functional parent phthalic anhydride (CHEBI:36605)
trimellitic anhydride (CHEBI:53050) has functional parent trimellitic acid (CHEBI:166055)
trimellitic anhydride (CHEBI:53050) has role allergen (CHEBI:50904)
trimellitic anhydride (CHEBI:53050) has role epitope (CHEBI:53000)
trimellitic anhydride (CHEBI:53050) has role hapten (CHEBI:59174)
trimellitic anhydride (CHEBI:53050) is a 2-benzofurans (CHEBI:38831)
trimellitic anhydride (CHEBI:53050) is a cyclic dicarboxylic anhydride (CHEBI:36609)
trimellitic anhydride (CHEBI:53050) is a dioxo monocarboxylic acid (CHEBI:35951)
IUPAC Name 
1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylic acid
Synonyms  Source
1,2,4-Benzenetricarboxylic acid 1,2-anhydrideChemIDplus
1,2,4-Benzenetricarboxylic acid anhydrideChemIDplus
1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydrideChemIDplus
1,3-Dihydro-1,3-dioxo-5-isobenzofurancarboxylic acidChemIDplus
1,3-Dioxo-5-phthalancarboxylic acidChemIDplus
4-Carboxyphthalic anhydrideNIST Chemistry WebBook
Registry NumbersSources
Gmelin:397507Gmelin
Reaxys:9394Reaxys
CAS:552-30-7ChemIDplus
CAS:552-30-7NIST Chemistry WebBook
Citations