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ChEBI
> Main
CHEBI:2332 - 9-(5-phosphoribofuranosyl)-6-mercaptopurine
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ChEBI Ontology
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ChEBI Name
9-(5-phosphoribofuranosyl)-6-mercaptopurine
ChEBI ID
CHEBI:2332
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This entity has been manually annotated by a third party.
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Formula
C10H13N4O7PS
Net Charge
0
Average Mass
364.273
Monoisotopic Mass
364.02426
InChI
InChI=1S/C10H13N4O7PS/c15-
6-
4(1-
20-
22(17,18)
19)
21-
10(7(6)
16)
14-
3-
13-
5-
8(14)
11-
2-
12-
9(5)
23/h2-
4,6-
7,10,15-
16H,1H2,(H,11,12,23)
(H2,17,18,19)
/t4-
,6-
,7-
,10-
/m1/s1
InChIKey
ZKRFOXLVOKTUTA-KQYNXXCUSA-N
SMILES
N1(C2=C(C(=NC=N2)S)N=C1)[C@@H]3O[C@H](COP(O)(O)=O)[C@H]([C@H]3O)O
ChEBI Ontology
Outgoing
9-(5-phosphoribofuranosyl)-6-mercaptopurine (
CHEBI:2332
)
is a
purine ribonucleoside 5'-monophosphate (
CHEBI:37021
)
9-(5-phosphoribofuranosyl)-6-mercaptopurine (
CHEBI:2332
)
is a
thiopurine (
CHEBI:35666
)
Synonyms
Sources
6-Thioinosine-5'-monophosphate
KEGG COMPOUND
9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine
KEGG COMPOUND
9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine
KEGG COMPOUND
Manual Xrefs
Databases
C04646
KEGG COMPOUND
HMDB0060416
HMDB
View more database links
Registry Number
Type
Source
53-83-8
CAS Registry Number
KEGG COMPOUND
Last Modified
25 October 2017