EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:165207 - Mono-2-ethyl-5-carboxypentyl terephthalate

ChEBI IDCHEBI:165207
ChEBI NameMono-2-ethyl-5-carboxypentyl terephthalate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O6
Net Charge0
Average Mass308.330
Monoisotopic Mass308.12599
SMILESCCC(CCCC(=O)O)COC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C16H20O6/c1-2-11(4-3-5-14(17)18)10-22-16(21)13-8-6-12(7-9-13)15(19)20/h6-9,11H,2-5,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyBIQPFHSSQDGFTK-UHFFFAOYSA-N
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
Mono-2-ethyl-5-carboxypentyl terephthalate (CHEBI:165207) is a phthalate ester (CHEBI:35484)
IUPAC Name 
4-(5-carboxy-2-ethylpentoxy)carbonylbenzoic acid