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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:27483 - betalamic acid
Main
ChEBI Ontology
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ChEBI Name
betalamic acid
ChEBI ID
CHEBI:27483
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:3076, CHEBI:22862
Supplier Information
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Formula
C9H9NO5
Net Charge
0
Average Mass
211.17150
Monoisotopic Mass
211.04807
InChI
InChI=1S/C9H9NO5/c11-
2-
1-
5-
3-
6(8(12)
13)
10-
7(4-
5)
9(14)
15/h1-
3,7,10H,4H2,(H,12,13)
(H,14,15)
/b5-
1-
/t7-
/m0/s1
InChIKey
YQDKULBMDMPFLH-FSRBREEPSA-N
SMILES
OC(=O)[C@@H]1CC(=C/C=O)\C=C(N1)C(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
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
betalamic acid (
CHEBI:27483
)
is a
betalain (
CHEBI:22861
)
betalamic acid (
CHEBI:27483
)
is a
dicarboxylic acid (
CHEBI:35692
)
IUPAC Name
(2
S
,4
E
)-4-(2-oxoethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid
Synonyms
Sources
(
S
-(
E
))-1,2,3,4-tetrahydro-4-(oxoethylidene)-2,6-pyridinedicarboxylic acid
ChemIDplus
Betalamic acid
KEGG COMPOUND
Manual Xrefs
Databases
C00001582
KNApSAcK
C08538
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
18766-66-0
CAS Registry Number
KEGG COMPOUND
18766-66-0
CAS Registry Number
ChemIDplus
480821
Beilstein Registry Number
Beilstein
Last Modified
28 July 2014