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> Main
CHEBI:16210 - sinapoyltartronic acid
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ChEBI Name
sinapoyltartronic acid
ChEBI ID
CHEBI:16210
Definition
The ester obtained from formal condensation of sinapic acid and hydroxymalonic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:15089, CHEBI:26688, CHEBI:9157
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Formula
C14H14O9
Net Charge
0
Average Mass
326.25556
Monoisotopic Mass
326.06378
InChI
InChI=1S/C14H14O9/c1-
21-
8-
5-
7(6-
9(22-
2)
11(8)
16)
3-
4-
10(15)
23-
12(13(17)
18)
14(19)
20/h3-
6,12,16H,1-
2H3,(H,17,18)
(H,19,20)
/b4-
3+
InChIKey
BILXTXFCLYPNMR-ONEGZZNKSA-N
SMILES
COc1cc(cc(OC)c1O)\C=C\C(=O)OC(C(O)=O)C(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
sinapoyltartronic acid (
CHEBI:16210
)
has functional parent
trans
-sinapic acid (
CHEBI:15714
)
sinapoyltartronic acid (
CHEBI:16210
)
is a
carboxylic ester (
CHEBI:33308
)
sinapoyltartronic acid (
CHEBI:16210
)
is a
dicarboxylic acid (
CHEBI:35692
)
sinapoyltartronic acid (
CHEBI:16210
)
is conjugate acid of
sinapoyltartronate(2−) (
CHEBI:57680
)
Incoming
sinapoyltartronate(2−) (
CHEBI:57680
)
is conjugate base of
sinapoyltartronic acid (
CHEBI:16210
)
IUPAC Name
[(2
E
)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]propanedioic acid
Synonyms
Sources
Sinapoyltartronate
KEGG COMPOUND
trans
-sinapoyltartronate
ChEBI
{[(2
E
)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}malonic acid
ChEBI
Manual Xref
Database
C02750
KEGG COMPOUND
View more database links
Last Modified
01 October 2010