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:139627 - ascr#14(1−)
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
ascr#14(1−)
ChEBI ID
CHEBI:139627
ChEBI ASCII Name
ascr#14(1-)
Definition
A monocarboxylic acid anion that is conjugate base of ascr#14 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
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
C14H25O6
Net Charge
-1
Average Mass
289.349
Monoisotopic Mass
289.16566
InChI
InChI=1S/C14H26O6/c1-
9(6-
4-
3-
5-
7-
13(17)
18)
19-
14-
12(16)
8-
11(15)
10(2)
20-
14/h9-
12,14-
16H,3-
8H2,1-
2H3,(H,17,18)
/p-
1/t9-
,10+,11-
,12-
,14-
/m1/s1
InChIKey
HRHMWTOQBKRTTG-CYRBOEJBSA-M
SMILES
C[C@H](CCCCCC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing
ascr#14(1−) (
CHEBI:139627
)
is a
monocarboxylic acid anion (
CHEBI:35757
)
ascr#14(1−) (
CHEBI:139627
)
is conjugate base of
ascr#14 (
CHEBI:78905
)
Incoming
ascr#14 (
CHEBI:78905
)
is conjugate acid of
ascr#14(1−) (
CHEBI:139627
)
IUPAC Name
(7
R
)-7-[(3,6-dideoxy-α-
L
-
arabino
-hexopyranosyl)oxy]octanoate
Synonyms
Sources
asc-C8 anion
ChEBI
asc-C8(1−)
ChEBI
ascr#14 anion
ChEBI
Last Modified
24 January 2024