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CHEBI:76846 - 7-deoxyloganetate
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ChEBI Name
7-deoxyloganetate
ChEBI ID
CHEBI:76846
Definition
A monocarboxylic acid anion that is the conjugate base of 7-deoxyloganetic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
Supplier Information
No supplier information found for this compound.
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Formula
C10H13O4
Net Charge
-1
Average Mass
197.20840
Monoisotopic Mass
197.08193
InChI
InChI=1S/C10H14O4/c1-
5-
2-
3-
6-
7(9(11)
12)
4-
14-
10(13)
8(5)
6/h4-
6,8,10,13H,2-
3H2,1H3,(H,11,12)
/p-
1/t5-
,6+,8+,10+/m0/s1
InChIKey
DKGYTSKPMLWLEI-FIZOKRMRSA-M
SMILES
C[C@H]1CC[C@H]2[C@@H]1[C@H](O)OC=C2C([O-])=O
ChEBI Ontology
Outgoing
7-deoxyloganetate (
CHEBI:76846
)
is a
monocarboxylic acid anion (
CHEBI:35757
)
7-deoxyloganetate (
CHEBI:76846
)
is conjugate base of
7-deoxyloganetic acid (
CHEBI:77027
)
Incoming
7-deoxyloganetic acid (
CHEBI:77027
)
is conjugate acid of
7-deoxyloganetate (
CHEBI:76846
)
IUPAC Name
(1
R
,4a
S
,7
S
,7a
R
)-
1-
hydroxy-
7-
methyl-
1,4a,5,6,7,7a-
hexahydrocyclopenta[
c
]pyran-
4-
carboxylate
Synonym
Source
7-deoxyloganetate
UniProt
Manual Xref
Database
CPD-9980
MetaCyc
View more database links
Citation
Last Modified
13 September 2018