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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:17582 - isochorismic acid
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ChEBI Name
isochorismic acid
ChEBI ID
CHEBI:17582
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:24883, CHEBI:5997, CHEBI:14464
Supplier Information
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Formula
C10H10O6
Net Charge
0
Average Mass
226.18280
Monoisotopic Mass
226.04774
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)
/t7-
,8-
/m0/s1
InChIKey
NTGWPRCCOQCMGE-YUMQZZPRSA-N
SMILES
O[C@@H]1[C@@H](OC(=C)C(O)=O)C=CC=C1C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
isochorismic acid (
CHEBI:17582
)
is a
5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid (
CHEBI:36166
)
isochorismic acid (
CHEBI:17582
)
is conjugate acid of
isochorismate(2−) (
CHEBI:29780
)
Incoming
isochorismate(2−) (
CHEBI:29780
)
is conjugate base of
isochorismic acid (
CHEBI:17582
)
IUPAC Name
(5
S
,6
S
)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
Synonym
Source
Isochorismic acid
KEGG COMPOUND
Manual Xrefs
Databases
C00000734
KNApSAcK
C00007614
KNApSAcK
C00885
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
22642-82-6
CAS Registry Number
KEGG COMPOUND
2943868
Beilstein Registry Number
Beilstein
Last Modified
28 July 2014