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> Main
CHEBI:140801 - icas#10(1−)
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ChEBI Name
icas#10(1−)
ChEBI ID
CHEBI:140801
ChEBI ASCII Name
icas#10(1-)
Definition
A monocarboxylic acid anion that is the conjugate base of icas#10 resulting from the deprotonation of the carboxy group; Major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Michael Witting
Kristian Axelsen
Secondary ChEBI IDs
CHEBI:166984
Supplier Information
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Molfile
Formula
C24H32NO7
Net Charge
-1
Average Mass
446.521
Monoisotopic Mass
446.21843
InChI
InChI=1S/C24H33NO7/c1-
15(9-
5-
3-
4-
6-
12-
22(27)
28)
30-
24-
20(26)
13-
21(16(2)
31-
24)
32-
23(29)
18-
14-
25-
19-
11-
8-
7-
10-
17(18)
19/h7-
8,10-
11,14-
16,20-
21,24-
26H,3-
6,9,12-
13H2,1-
2H3,(H,27,28)
/p-
1/t15-
,16+,20-
,21-
,24-
/m1/s1
InChIKey
VGNCAEIQHDZOLI-JTCUFRKPSA-M
SMILES
C[C@H](CCCCCCC([O-])=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)C1=CNC2=C1C=CC=C2
ChEBI Ontology
Outgoing
icas#10(1−) (
CHEBI:140801
)
has functional parent
ascr#10(1−) (
CHEBI:139615
)
icas#10(1−) (
CHEBI:140801
)
is a
monocarboxylic acid anion (
CHEBI:35757
)
icas#10(1−) (
CHEBI:140801
)
is conjugate base of
icas#10 (
CHEBI:79029
)
Incoming
icas#10 (
CHEBI:79029
)
is conjugate acid of
icas#10(1−) (
CHEBI:140801
)
IUPAC Name
(8
R
)-
8-
{[3,6-
dideoxy-
4-
O
-
(1
H
-
indol-
3-
ylcarbonyl)-
α-
L
-
arabino
-
hexopyranosyl]oxy}nonanoate
Synonyms
Sources
IC-asc-C9
UniProt
IC-asc-C9(1−)
ChEBI
icas#10 anion
ChEBI
Citation
Type
Source
29863473
PubMed citation
SUBMITTER
Last Modified
24 January 2024