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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:30885 - lupinic acid
Main
ChEBI Ontology
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ChEBI Name
lupinic acid
ChEBI ID
CHEBI:30885
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:25083
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Formula
C13H18N6O3
Net Charge
0
Average Mass
306.32066
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+
InChIKey
LJJHXRRUVASJDX-KRXBUXKQSA-N
SMILES
C\C(CO)=C/CNc1ncnc2n(CC(N)C(O)=O)cnc12
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
)
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
lupinic acid (
CHEBI:30885
)
is a
alanine derivative (
CHEBI:22278
)
lupinic acid (
CHEBI:30885
)
is a
non-proteinogenic α-amino acid (
CHEBI:83925
)
lupinic acid (
CHEBI:30885
)
is a
purine alkaloid (
CHEBI:26385
)
Incoming
L
-lupinic acid (
CHEBI:6572
)
is a
lupinic acid (
CHEBI:30885
)
IUPAC Name
3-{6-[(2
E
)-4-hydroxy-3-methylbut-2-en-1-ylamino]-9
H
-purin-9-yl}-alanine
Registry Number
Type
Source
1227755
Beilstein Registry Number
Beilstein
Last Modified
01 December 2014