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

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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 Mono-2-ethyl-5-carboxypentyl terephthalate
ChEBI ID CHEBI:165207
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H20O6
Net Charge 0
Average Mass 308.330
Monoisotopic Mass 308.12599
InChI InChI=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)
InChIKey BIQPFHSSQDGFTK-UHFFFAOYSA-N
SMILES O(CC(CCCC(O)=O)CC)C(=O)C1=CC=C(C=C1)C(O)=O
Roles Classification
Application(s): endocrine disruptor
Any compound that can disrupt the functions of the endocrine (hormone) system
(via phthalate ester )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Mono-2-ethyl-5-carboxypentyl terephthalate (CHEBI:165207) is a phthalate ester (CHEBI:35484)
IUPAC Name
4-(5-carboxy-2-ethylpentoxy)carbonylbenzoic acid