Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:140004 - oscr#23(1−)
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
oscr#23(1−)
ChEBI ID
CHEBI:140004
ChEBI ASCII Name
oscr#23(1-)
Definition
A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#23, 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
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C20H35O6
Net Charge
-1
Average Mass
371.489
Monoisotopic Mass
371.24391
InChI
InChI=1S/C20H36O6/c1-
16-
17(21)
15-
18(22)
20(26-
16)
25-
14-
12-
10-
8-
6-
4-
2-
3-
5-
7-
9-
11-
13-
19(23)
24/h11,13,16-
18,20-
22H,2-
10,12,14-
15H2,1H3,(H,23,24)
/p-
1/b13-
11+/t16-
,17+,18+,20+/m0/s1
InChIKey
DIYWZICECWKTIT-XKCSVMQCSA-M
SMILES
[C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCC/C=C/C([O-])=O
ChEBI Ontology
Outgoing
oscr#23(1−) (
CHEBI:140004
)
is a
hydroxy fatty acid ascaroside anion (
CHEBI:140307
)
oscr#23(1−) (
CHEBI:140004
)
is conjugate base of
oscr#23 (
CHEBI:79145
)
Incoming
oscr#23 (
CHEBI:79145
)
is conjugate acid of
oscr#23(1−) (
CHEBI:140004
)
IUPAC Name
(2
E
)-
14-
[(3,6-
dideoxy-
α-
L
-
arabino
-
hexopyranosyl)oxy]tetradec-
2-
enoate
Last Modified
02 March 2018