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:140800 - icas#1(1−)
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
icas#1(1−)
ChEBI ID
CHEBI:140800
ChEBI ASCII Name
icas#1(1-)
Definition
A monocarboxylic acid anion that is the conjugate base of icas#1 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:166981
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
C22H28NO7
Net Charge
-1
Average Mass
418.467
Monoisotopic Mass
418.18713
InChI
InChI=1S/C22H29NO7/c1-
13(7-
3-
6-
10-
20(25)
26)
28-
22-
18(24)
11-
19(14(2)
29-
22)
30-
21(27)
16-
12-
23-
17-
9-
5-
4-
8-
15(16)
17/h4-
5,8-
9,12-
14,18-
19,22-
24H,3,6-
7,10-
11H2,1-
2H3,(H,25,26)
/p-
1/t13-
,14+,18-
,19-
,22-
/m1/s1
InChIKey
YRHZEQFAUQVVIS-FAVIALCLSA-M
SMILES
C[C@H](CCCCC([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#1(1−) (
CHEBI:140800
)
has functional parent
ascr#1(1−) (
CHEBI:139614
)
icas#1(1−) (
CHEBI:140800
)
is a
monocarboxylic acid anion (
CHEBI:35757
)
icas#1(1−) (
CHEBI:140800
)
is conjugate base of
icas#1 (
CHEBI:79051
)
Incoming
icas#1 (
CHEBI:79051
)
is conjugate acid of
icas#1(1−) (
CHEBI:140800
)
IUPAC Name
(6
R
)-
6-
{[3,6-
dideoxy-
4-
O
-
(1
H
-
indol-
3-
ylcarbonyl)-
α-
L
-
arabino
-
hexopyranosyl]oxy}heptanoate
Synonyms
Sources
IC-asc-C7
UniProt
IC-asc-C7 anion
ChEBI
IC-asc-C7(1−)
ChEBI
icas#1 anion
ChEBI
Citation
Type
Source
29863473
PubMed citation
SUBMITTER
Last Modified
24 January 2024