CHEBI:28440 - (2,6-dihydroxyphenyl)acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2,6-dihydroxyphenyl)acetate
ChEBI ID CHEBI:28440
Definition A dihydroxy monocarboxylic acid anion that is the conjugate base of (2,6-dihydroxyphenyl)acetic acid, arising from deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:19400
Supplier Information
Download Molfile XML SDF
Formula C8H7O4
Net Charge -1
Average Mass 167.13878
Monoisotopic Mass 167.03498
InChI InChI=1S/C8H8O4/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)/p-1
InChIKey CROCAQYJJNCZQH-UHFFFAOYSA-M
SMILES Oc1cccc(O)c1CC([O-])=O
ChEBI Ontology
Outgoing (2,6-dihydroxyphenyl)acetate (CHEBI:28440) has functional parent acetate (CHEBI:30089)
(2,6-dihydroxyphenyl)acetate (CHEBI:28440) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
(2,6-dihydroxyphenyl)acetate (CHEBI:28440) is conjugate base of (2,6-dihydroxyphenyl)acetic acid (CHEBI:952)
Incoming (2,6-dihydroxyphenyl)acetic acid (CHEBI:952) is conjugate acid of (2,6-dihydroxyphenyl)acetate (CHEBI:28440)
IUPAC Name
(2,6-dihydroxyphenyl)acetate
Synonym Source
2,6-Dihydroxyphenylacetate KEGG COMPOUND
Manual Xref Database
C06207 KEGG COMPOUND
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Last Modified
18 February 2011