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ChEBI
> Main
CHEBI:139964 - oscr#1(1−)
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ChEBI Name
oscr#1(1−)
ChEBI ID
CHEBI:139964
ChEBI ASCII Name
oscr#1(1-)
Definition
A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#1, 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
Michael Witting
Supplier Information
eMolecules:1360357
,
ZINC000000538471
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Molfile
Formula
C13H23O6
Net Charge
-1
Average Mass
275.319
Monoisotopic Mass
275.15001
InChI
InChI=1S/C13H24O6/c1-
9-
10(14)
8-
11(15)
13(19-
9)
18-
7-
5-
3-
2-
4-
6-
12(16)
17/h9-
11,13-
15H,2-
8H2,1H3,(H,16,17)
/p-
1/t9-
,10+,11+,13+/m0/s1
InChIKey
XHPJAFLLEKUEFS-SBFPOUOMSA-M
SMILES
[C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCC(=O)[O-]
ChEBI Ontology
Outgoing
oscr#1(1−) (
CHEBI:139964
)
is a
hydroxy fatty acid ascaroside anion (
CHEBI:140307
)
oscr#1(1−) (
CHEBI:139964
)
is conjugate base of
oscr#1 (
CHEBI:79130
)
Incoming
oscr#1 (
CHEBI:79130
)
is conjugate acid of
oscr#1(1−) (
CHEBI:139964
)
IUPAC Name
7-[(3,6-dideoxy-α-
L
-
arabino
-hexopyranosyl)oxy]heptanoate
Last Modified
02 March 2018