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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:80612 - 6-Thioxanthine 5'-monophosphate
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ChEBI Ontology
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ChEBI Name
6-Thioxanthine 5'-monophosphate
ChEBI ID
CHEBI:80612
Stars
This entity has been manually annotated by a third party.
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Formula
C10H13N4O8PS
Net Charge
0
Average Mass
380.27100
Monoisotopic Mass
380.01917
InChI
InChI=1S/C10H13N4O8PS/c15-
5-
3(1-
21-
23(18,19)
20)
22-
9(6(5)
16)
14-
2-
11-
4-
7(14)
12-
10(17)
13-
8(4)
24/h2-
3,5-
6,9,15-
16H,1H2,(H2,18,19,20)
(H2,12,13,17,24)
/t3-
,5-
,6-
,9-
/m1/s1
InChIKey
WMRIOGFRJLQENF-UUOKFMHZSA-N
SMILES
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=S
ChEBI Ontology
Outgoing
6-Thioxanthine 5'-monophosphate (
CHEBI:80612
)
is a
organic molecule (
CHEBI:72695
)
Manual Xrefs
Databases
C16618
KEGG COMPOUND
HMDB0060418
HMDB
View more database links
Registry Number
Type
Source
3237-49-8
CAS Registry Number
KEGG COMPOUND