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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:76116 - (2
R
,3
R
)-
trans
-fertaric acid
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ChEBI Name
(2
R
,3
R
)-
trans
-fertaric acid
ChEBI ID
CHEBI:76116
ChEBI ASCII Name
(2R,3R)-trans-fertaric acid
Definition
A cinnamate ester obtained by formal condensation of the carboxy group of
trans
-ferulic acid with one of the hydroxy groups of
L
-tartaric acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C14H14O9
Net Charge
0
Average Mass
326.25560
Monoisotopic Mass
326.06378
InChI
InChI=1S/C14H14O9/c1-
22-
9-
6-
7(2-
4-
8(9)
15)
3-
5-
10(16)
23-
12(14(20)
21)
11(17)
13(18)
19/h2-
6,11-
12,15,17H,1H3,(H,18,19)
(H,20,21)
/b5-
3+/t11-
,12-
/m1/s1
InChIKey
XIWXUSFCUBAMFH-WEPHUFDCSA-N
SMILES
COc1cc(\C=C\C(=O)O[C@H]([C@@H](O)C(O)=O)C(O)=O)ccc1O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(2
R
,3
R
)-
trans
-fertaric acid (
CHEBI:76116
)
has functional parent
L
-tartaric acid (
CHEBI:15671
)
(2
R
,3
R
)-
trans
-fertaric acid (
CHEBI:76116
)
has functional parent
ferulic acid (
CHEBI:17620
)
(2
R
,3
R
)-
trans
-fertaric acid (
CHEBI:76116
)
has role
metabolite (
CHEBI:25212
)
(2
R
,3
R
)-
trans
-fertaric acid (
CHEBI:76116
)
is a
fertaric acid (
CHEBI:91032
)
(2
R
,3
R
)-
trans
-fertaric acid (
CHEBI:76116
)
is enantiomer of
(2
S
,3
S
)-
trans
-fertaric acid (
CHEBI:76120
)
Incoming
(2
S
,3
S
)-
trans
-fertaric acid (
CHEBI:76120
)
is enantiomer of
(2
R
,3
R
)-
trans
-fertaric acid (
CHEBI:76116
)
IUPAC Name
(2
R
,3
R
)-
2-
hydroxy-
3-
{[(2
E
)-
3-
(4-
hydroxy-
3-
methoxyphenyl)prop-
2-
enoyl]oxy}butanedioic acid
Synonym
Source
trans
-fertaric acid
ChEBI
Registry Number
Type
Source
22563905
Reaxys Registry Number
Reaxys
Last Modified
29 January 2016