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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:15877 -
L
-lupinate
Main
ChEBI Ontology
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ChEBI Name
L
-lupinate
ChEBI ID
CHEBI:15877
ChEBI ASCII Name
L-lupinate
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:14535, CHEBI:25082
Supplier Information
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Formula
C13H17N6O3
Net Charge
-1
Average Mass
305.31272
Monoisotopic Mass
305.13676
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)
/p-
1/b8-
2+/t9-
/m0/s1
InChIKey
LJJHXRRUVASJDX-WWQRDVDESA-M
SMILES
C\C(CO)=C/CNc1ncnc2n(C[C@H](N)C([O-])=O)cnc12
ChEBI Ontology
Outgoing
L
-lupinate (
CHEBI:15877
)
is a
L
-α-amino acid anion (
CHEBI:59814
)
L
-lupinate (
CHEBI:15877
)
is conjugate base of
L
-lupinic acid (
CHEBI:6572
)
L
-lupinate (
CHEBI:15877
)
is conjugate base of
L
-lupinic acid zwitterion (
CHEBI:58927
)
Incoming
L
-lupinic acid (
CHEBI:6572
)
is conjugate acid of
L
-lupinate (
CHEBI:15877
)
L
-lupinic acid zwitterion (
CHEBI:58927
)
is conjugate acid of
L
-lupinate (
CHEBI:15877
)
IUPAC Name
3-
{6-
[(2
E
)-
4-
hydroxy-
3-
methylbut-
2-
en-
1-
ylamino]-
9
H
-
purin-
9-
yl}-
L
-
alaninate
Synonyms
Sources
(
S
)-2-amino-3-{[(
E
)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoate
ChEBI
3-[
N
6
-(4-hydroxyisopentenyl)adeninyl]-
L
-alaninate
ChEBI
Manual Xref
Database
C01513
KEGG COMPOUND
View more database links
Last Modified
15 January 2019