CHEBI:184113 - Tri-2-ethylhexyl trimellitate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tri-2-ethylhexyl trimellitate
ChEBI ID CHEBI:184113
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C33H54O6
Net Charge 0
Average Mass 546.789
Monoisotopic Mass 546.39204
InChI InChI=1S/C33H54O6/c1-7-13-16-25(10-4)22-37-31(34)28-19-20-29(32(35)38-23-26(11-5)17-14-8-2)30(21-28)33(36)39-24-27(12-6)18-15-9-3/h19-21,25-27H,7-18,22-24H2,1-6H3
InChIKey KRADHMIOFJQKEZ-UHFFFAOYSA-N
SMILES O(CC(CCCC)CC)C(=O)C1=C(C(OCC(CCCC)CC)=O)C=CC(C(OCC(CCCC)CC)=O)=C1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing Tri-2-ethylhexyl trimellitate (CHEBI:184113) is a benzoate ester (CHEBI:36054)
IUPAC Name
tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate
Manual Xref Database
17681 ChemSpider
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