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CHEBI:17416 - 3,4-dihydroxyphthalic acid
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ChEBI Name
3,4-dihydroxyphthalic acid
ChEBI ID
CHEBI:17416
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1388, CHEBI:11699, CHEBI:19892
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Formula
C8H6O6
Net Charge
0
Average Mass
198.12964
Monoisotopic Mass
198.01644
InChI
InChI=1S/C8H6O6/c9-4-2-1-3(7(11)12)5(6(4)10)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)
InChIKey
QXGJCWSBOZXWOV-UHFFFAOYSA-N
SMILES
OC(=O)c1ccc(O)c(O)c1C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3,4-dihydroxyphthalic acid (
CHEBI:17416
)
has functional parent
phthalic acid (
CHEBI:29069
)
3,4-dihydroxyphthalic acid (
CHEBI:17416
)
is a
hydroxybenzoic acid (
CHEBI:24676
)
3,4-dihydroxyphthalic acid (
CHEBI:17416
)
is conjugate acid of
3,4-dihydroxyphthalate(2−) (
CHEBI:58137
)
Incoming
3,4-dihydroxyphthalate(2−) (
CHEBI:58137
)
is conjugate base of
3,4-dihydroxyphthalic acid (
CHEBI:17416
)
IUPAC Name
3,4-dihydroxyphthalic acid
Synonyms
Sources
3,4-Dihydroxyphthalate
KEGG COMPOUND
3,4-dihydroxyphthalic acid
UniProt
3,4-Dihydroxyphthalic acid
KEGG COMPOUND
Manual Xref
Database
C03223
KEGG COMPOUND
View more database links
Registry Number
Type
Source
82784-82-5
CAS Registry Number
KEGG COMPOUND
Last Modified
26 April 2021