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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:17530 -
L
-arogenic acid
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ChEBI Name
L
-arogenic acid
ChEBI ID
CHEBI:17530
ChEBI ASCII Name
L-arogenic acid
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:13081, CHEBI:6190, CHEBI:21238
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Formula
C10H13NO5
Net Charge
0
Average Mass
227.21396
Monoisotopic Mass
227.07937
InChI
InChI=1S/C10H13NO5/c11-
7(8(13)
14)
5-
10(9(15)
16)
3-
1-
6(12)
2-
4-
10/h1-
4,6-
7,12H,5,11H2,(H,13,14)
(H,15,16)
/t6?,7-
,10?/m0/s1
InChIKey
MIEILDYWGANZNH-DSQUFTABSA-N
SMILES
N[C@@H](CC1(C=CC(O)C=C1)C(O)=O)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
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
L
-arogenic acid (
CHEBI:17530
)
is a
arogenic acid (
CHEBI:21239
)
L
-arogenic acid (
CHEBI:17530
)
is conjugate acid of
L
-arogenate(1−) (
CHEBI:58180
)
Incoming
L
-arogenate(1−) (
CHEBI:58180
)
is conjugate base of
L
-arogenic acid (
CHEBI:17530
)
IUPAC Name
1-[(2
S
)-2-amino-2-carboxyethyl]-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid
Synonyms
Sources
alpha-Amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoic acid
ChemIDplus
L-Arogenate
KEGG COMPOUND
L-Arogenic acid
KEGG COMPOUND
Pretyrosine
KEGG COMPOUND
Manual Xrefs
Databases
C00007338
KNApSAcK
C00826
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
4458841
Beilstein Registry Number
Beilstein
53078-86-7
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014