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> Main
CHEBI:71336 - 3'-
O
-(
N
-methylanthraniloyl)adenosine 5'-diphosphate
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ChEBI Name
3'-
O
-(
N
-methylanthraniloyl)adenosine 5'-diphosphate
ChEBI ID
CHEBI:71336
ChEBI ASCII Name
3'-O-(N-methylanthraniloyl)adenosine 5'-diphosphate
Definition
A purine ribonucleoside 5'-diphosphate that is ADP substituted at position 3' by an
N
-methylanthraniloyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Margaret Duesbury
Supplier Information
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Formula
C18H22N6O11P2
Net Charge
0
Average Mass
560.34840
Monoisotopic Mass
560.08218
InChI
InChI=1S/C18H22N6O11P2/c1-
20-
10-
5-
3-
2-
4-
9(10)
18(26)
34-
14-
11(6-
32-
37(30,31)
35-
36(27,28)
29)
33-
17(13(14)
25)
24-
8-
23-
12-
15(19)
21-
7-
22-
16(12)
24/h2-
5,7-
8,11,13-
14,17,20,25H,6H2,1H3,(H,30,31)
(H2,19,21,22)
(H2,27,28,29)
/t11-
,13-
,14-
,17-
/m1/s1
InChIKey
ANMCUTJZONROBG-LSCFUAHRSA-N
SMILES
CNc1ccccc1C(=O)O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
(via
nucleoside 5'-diphosphate
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3'-
O
-(
N
-methylanthraniloyl)adenosine 5'-diphosphate (
CHEBI:71336
)
has functional parent
N
-methylanthranilic acid (
CHEBI:16394
)
3'-
O
-(
N
-methylanthraniloyl)adenosine 5'-diphosphate (
CHEBI:71336
)
has functional parent
ADP (
CHEBI:16761
)
3'-
O
-(
N
-methylanthraniloyl)adenosine 5'-diphosphate (
CHEBI:71336
)
is a
purine ribonucleoside 5'-diphosphate (
CHEBI:37038
)
IUPAC Name
3'-
O
-[2-(methylamino)benzoyl]adenosine 5'-(trihydrogen diphosphate)
Synonyms
Sources
3'-
O
-(
N
-methylanthraniloyl)-ADP
ChemIDplus
adenosine 5'-(trihydrogen diphosphate) 3'-(2-(methylamino)benzoate)
ChemIDplus
MANT-ADP
SUBMITTER
Manual Xref
Database
DB03126
DrugBank
View more database links
Registry Numbers
Types
Sources
85287-55-4
CAS Registry Number
ChemIDplus
8742307
Reaxys Registry Number
Reaxys
Citations
Types
Sources
21986572
PubMed citation
Europe PMC
7989299
PubMed citation
SUBMITTER
8161526
PubMed citation
Europe PMC
8504109
PubMed citation
SUBMITTER
9548760
PubMed citation
Europe PMC
Last Modified
04 December 2012