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CHEBI:64112 - abacavir monophosphate
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ChEBI Name
abacavir monophosphate
ChEBI ID
CHEBI:64112
Definition
The organic phosphate that is the 5'-monophosphate of abacavir.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C14H19N6O4P
Net Charge
0
Average Mass
366.31220
Monoisotopic Mass
366.12054
InChI
InChI=1S/C14H19N6O4P/c15-
14-
18-
12(17-
9-
2-
3-
9)
11-
13(19-
14)
20(7-
16-
11)
10-
4-
1-
8(5-
10)
6-
24-
25(21,22)
23/h1,4,7-
10H,2-
3,5-
6H2,(H2,21,22,23)
(H3,15,17,18,19)
/t8-
,10+/m1/s1
InChIKey
YQBOXVWMECPEJS-SCZZXKLOSA-N
SMILES
Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](COP(O)(O)=O)C=C3)c2n1
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
abacavir monophosphate (
CHEBI:64112
)
has functional parent
abacavir (
CHEBI:421707
)
abacavir monophosphate (
CHEBI:64112
)
has role
metabolite (
CHEBI:25212
)
abacavir monophosphate (
CHEBI:64112
)
is a
2,6-diaminopurines (
CHEBI:38001
)
abacavir monophosphate (
CHEBI:64112
)
is a
organic phosphate (
CHEBI:25703
)
IUPAC Name
{(1
S
,4
R
)-
4-
[2-
amino-
6-
(cyclopropylamino)-
9
H
-
purin-
9-
yl]cyclopent-
2-
en-
1-
yl}methyl dihydrogen phosphate
Synonyms
Sources
abacavir 5'-monophosphate
ChEBI
abacavir 5'-phosphate
ChEBI
abacavir phosphate
ChEBI
Registry Number
Type
Source
8357356
Reaxys Registry Number
Reaxys
Citation
Type
Source
16513094
PubMed citation
Europe PMC
Last Modified
07 March 2012