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ChEBI
> Main
CHEBI:30632 - loganic acid
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ChEBI Ontology
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ChEBI Name
loganic acid
ChEBI ID
CHEBI:30632
Definition
A cyclopentapyran that is 1,4a,5,6,7,7a-hexahydrocyclopenta[
c
]pyran-4-carboxylic acid substituted at positions 1, 6 and 7 by β-
D
-glucosyloxy, hydroxy and methyl groups respectively
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:6512, CHEBI:25068
Supplier Information
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Formula
C16H24O10
Net Charge
0
Average Mass
376.35576
Monoisotopic Mass
376.13695
InChI
InChI=1S/C16H24O10/c1-
5-
8(18)
2-
6-
7(14(22)
23)
4-
24-
15(10(5)
6)
26-
16-
13(21)
12(20)
11(19)
9(3-
17)
25-
16/h4-
6,8-
13,15-
21H,2-
3H2,1H3,(H,22,23)
/t5-
,6+,8-
,9+,10+,11+,12-
,13+,15-
,16-
/m0/s1
InChIKey
JNNGEAWILNVFFD-CDJYTOATSA-N
SMILES
[H][C@]12C[C@H](O)[C@H](C)[C@@]1([H])[C@@H](OC=C2C(O)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
loganic acid (
CHEBI:30632
)
has role
plant metabolite (
CHEBI:76924
)
loganic acid (
CHEBI:30632
)
is a
α,β-unsaturated monocarboxylic acid (
CHEBI:79020
)
loganic acid (
CHEBI:30632
)
is a
cyclopentapyran (
CHEBI:38606
)
loganic acid (
CHEBI:30632
)
is a
glucoside (
CHEBI:24278
)
loganic acid (
CHEBI:30632
)
is conjugate acid of
loganate (
CHEBI:18052
)
Incoming
loganate (
CHEBI:18052
)
is conjugate base of
loganic acid (
CHEBI:30632
)
IUPAC Name
(1
S
,4a
S
,6
S
,7
R
,7a
S
)-
1-
(β-
D
-
glucopyranosyloxy)-
6-
hydroxy-
7-
methyl-
1,4a,5,6,7,7a-
hexahydrocyclopenta[
c
]pyran-
4-
carboxylic acid
Synonym
Source
Loganic acid
KEGG COMPOUND
Manual Xrefs
Databases
C00010604
KNApSAcK
C01512
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
22255-40-9
CAS Registry Number
KEGG COMPOUND
22255-40-9
CAS Registry Number
ChemIDplus
4887090
Beilstein Registry Number
Beilstein
Last Modified
28 July 2014