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:29780 - isochorismate(2−)
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
isochorismate(2−)
ChEBI ID
CHEBI:29780
ChEBI ASCII Name
isochorismate(2-)
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C10H8O6
Net Charge
-2
Average Mass
224.16692
Monoisotopic Mass
224.03319
InChI
InChI=1S/C10H10O6/c1-
5(9(12)
13)
16-
7-
4-
2-
3-
6(8(7)
11)
10(14)
15/h2-
4,7-
8,11H,1H2,(H,12,13)
(H,14,15)
/p-
2/t7-
,8-
/m0/s1
InChIKey
NTGWPRCCOQCMGE-YUMQZZPRSA-L
SMILES
O[C@@H]1[C@@H](OC(=C)C([O-])=O)C=CC=C1C([O-])=O
ChEBI Ontology
Outgoing
isochorismate(2−) (
CHEBI:29780
)
is a
dicarboxylic acid dianion (
CHEBI:28965
)
isochorismate(2−) (
CHEBI:29780
)
is conjugate base of
isochorismic acid (
CHEBI:17582
)
Incoming
isochorismic acid (
CHEBI:17582
)
is conjugate acid of
isochorismate(2−) (
CHEBI:29780
)
IUPAC Name
(5
S
,6
S
)-5-[(1-carboxylatoethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylate
Synonyms
Sources
Isochorismate
KEGG COMPOUND
isochorismate
UniProt
Manual Xrefs
Databases
C00885
KEGG COMPOUND
DB02793
DrugBank
View more database links
Registry Number
Type
Source
8334070
Beilstein Registry Number
Beilstein
Last Modified
10 July 2015