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ChEBI
> Main
CHEBI:58927 -
L
-lupinic acid zwitterion
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ChEBI Name
L
-lupinic acid zwitterion
ChEBI ID
CHEBI:58927
ChEBI ASCII Name
L-lupinic acid zwitterion
Definition
Zwitterionic form of
L
-lupinic acid having an anionic carboxy group and a protonated nitrogen.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C13H18N6O3
Net Charge
0
Average Mass
306.32040
Monoisotopic Mass
306.14404
InChI
InChI=1S/C13H18N6O3/c1-
8(5-
20)
2-
3-
15-
11-
10-
12(17-
6-
16-
11)
19(7-
18-
10)
4-
9(14)
13(21)
22/h2,6-
7,9,20H,3-
5,14H2,1H3,(H,21,22)
(H,15,16,17)
/b8-
2+/t9-
/m0/s1
InChIKey
LJJHXRRUVASJDX-WWQRDVDESA-N
SMILES
C\C(CO)=C/CNc1ncnc2n(C[C@H]([NH3+])C([O-])=O)cnc12
ChEBI Ontology
Outgoing
L
-lupinic acid zwitterion (
CHEBI:58927
)
is a
amino-acid zwitterion (
CHEBI:35238
)
L
-lupinic acid zwitterion (
CHEBI:58927
)
is conjugate acid of
L
-lupinate (
CHEBI:15877
)
L
-lupinic acid zwitterion (
CHEBI:58927
)
is tautomer of
L
-lupinic acid (
CHEBI:6572
)
Incoming
L
-lupinate (
CHEBI:15877
)
is conjugate base of
L
-lupinic acid zwitterion (
CHEBI:58927
)
L
-lupinic acid (
CHEBI:6572
)
is tautomer of
L
-lupinic acid zwitterion (
CHEBI:58927
)
IUPAC Name
(2
S
)-
2-
azaniumyl-
3-
(6-
{[(2
E
)-
4-
hydroxy-
3-
methylbut-
2-
en-
1-
yl]amino}-
9
H
-
purin-
9-
yl)propanoate
Synonym
Source
L
-lupinate
UniProt
Last Modified
01 December 2014