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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:176633 - aspartic acid-1,4-
13
C
2
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ChEBI Ontology
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ChEBI Name
aspartic acid-1,4-
13
C
2
ChEBI ID
CHEBI:176633
ChEBI ASCII Name
aspartic acid-1,4-(13)C2
Definition
A
13
C-modified compound that is apspartic acid in which the carbon atoms at postions 1 and 4 are present as their
13
C isotopes.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C2[13C]2H7NO4
Net Charge
0
Average Mass
135.088
Monoisotopic Mass
135.04422
InChI
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/i3+1,4+1
InChIKey
CKLJMWTZIZZHCS-CQDYUVAPSA-N
SMILES
NC(C[13C](O)=O)[13C](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
)
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
fundamental metabolite
Any metabolite produced by all living cells.
(via
aspartic acid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
aspartic acid-1,4-
13
C
2
(
CHEBI:176633
)
is a
13
C-modified compound (
CHEBI:139357
)
aspartic acid-1,4-
13
C
2
(
CHEBI:176633
)
is a
aspartic acid (
CHEBI:22660
)
Incoming
D
-aspartic acid-1,4-
13
C
2
(
CHEBI:176632
)
is a
aspartic acid-1,4-
13
C
2
(
CHEBI:176633
)
L
-aspartic acid-1,4-
13
C
2
(
CHEBI:176631
)
is a
aspartic acid-1,4-
13
C
2
(
CHEBI:176633
)
IUPAC Name
(1,4-
13
C
2
)aspartic acid
Synonym
Source
2-amino(1,4-
13
C
2
)butanedioic acid
IUPAC
Last Modified
28 June 2021