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ChEBI
> Main
CHEBI:27441 -
D
-prephenyl lactate
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ChEBI Name
D
-prephenyl lactate
ChEBI ID
CHEBI:27441
ChEBI ASCII Name
D-prephenyl lactate
Definition
A carboxylic acid having
D
-lactic acid as the carboxylic acid component and a 3-hydroxycyclohexa-1,4-diene as the alcohol component.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:4225, CHEBI:21069
Supplier Information
No supplier information found for this compound.
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Formula
C13H14O8
Net Charge
0
Average Mass
298.24550
Monoisotopic Mass
298.06887
InChI
InChI=1S/C13H14O8/c1-
7(14)
11(18)
21-
8-
2-
4-
13(5-
3-
8,12(19)
20)
6-
9(15)
10(16)
17/h2-
5,7-
8,14H,6H2,1H3,(H,16,17)
(H,19,20)
/t7-
,8-
,13+/m1/s1
InChIKey
LNGMWZFHTXFDNM-RBDZCENOSA-N
SMILES
C[C@@H](O)C(=O)O[C@H]1C=C[C@](CC(=O)C(O)=O)(C=C1)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
D
-prephenyl lactate (
CHEBI:27441
)
has functional parent
(
R
)-lactic acid (
CHEBI:42111
)
D
-prephenyl lactate (
CHEBI:27441
)
is a
lactate ester (
CHEBI:83219
)
D
-prephenyl lactate (
CHEBI:27441
)
is a
oxo dicarboxylic acid (
CHEBI:36145
)
IUPAC Name
cis
-
1-
(2-
carboxy-
2-
oxoethyl)-
4-
{[(2
R
)-
2-
hydroxypropanoyl]oxy}cyclohexa-
2,5-
diene-
1-
carboxylic acid
Synonym
Source
D-Prephenyllactate
KEGG COMPOUND
Manual Xref
Database
C00994
KEGG COMPOUND
View more database links
Last Modified
02 October 2014