CHEBI:30801 - terephthalate(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name terephthalate(1−)
ChEBI ID CHEBI:30801
ChEBI ASCII Name terephthalate(1-)
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H5O4
Net Charge -1
Average Mass 165.12290
Monoisotopic Mass 165.01933
InChI InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-1
InChIKey KKEYFWRCBNTPAC-UHFFFAOYSA-M
SMILES OC(=O)c1ccc(cc1)C([O-])=O
ChEBI Ontology
Outgoing terephthalate(1−) (CHEBI:30801) is a dicarboxylic acid monoanion (CHEBI:35695)
terephthalate(1−) (CHEBI:30801) is conjugate acid of terephthalate(2−) (CHEBI:30043)
terephthalate(1−) (CHEBI:30801) is conjugate base of terephthalic acid (CHEBI:15702)
Incoming terephthalic acid (CHEBI:15702) is conjugate acid of terephthalate(1−) (CHEBI:30801)
terephthalate(2−) (CHEBI:30043) is conjugate base of terephthalate(1−) (CHEBI:30801)
IUPAC Name
4-carboxybenzoate
Synonym Source
hydrogen terephthalate ChEBI
Registry Numbers Types Sources
328026 Gmelin Registry Number Gmelin
3590108 Beilstein Registry Number Beilstein
Last Modified
09 September 2008