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CHEBI:848 - 2'-phospho-5'-adenylyl sulfate
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ChEBI Name
2'-phospho-5'-adenylyl sulfate
ChEBI ID
CHEBI:848
Definition
An adenosine bisphosphate having monophosphate groups at the 2'- and 5'-positions and a sulfo group attached to the phosphate at position 5'.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C10H15N5O13P2S
Net Charge
0
Average Mass
507.26400
Monoisotopic Mass
506.98623
InChI
InChI=1S/C10H15N5O13P2S/c11-
8-
5-
9(13-
2-
12-
8)
15(3-
14-
5)
10-
7(27-
29(17,18)
19)
6(16)
4(26-
10)
1-
25-
30(20,21)
28-
31(22,23)
24/h2-
4,6-
7,10,16H,1H2,(H,20,21)
(H2,11,12,13)
(H2,17,18,19)
(H,22,23,24)
/t4-
,6-
,7-
,10-
/m1/s1
InChIKey
SGNZKKOMSOPYFR-KQYNXXCUSA-N
SMILES
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](O)[C@H]1OP(O)(O)=O
ChEBI Ontology
Outgoing
2'-phospho-5'-adenylyl sulfate (
CHEBI:848
)
has functional parent
5'-adenylyl sulfate (
CHEBI:17709
)
2'-phospho-5'-adenylyl sulfate (
CHEBI:848
)
has functional parent
adenosine 2',5'-bisphosphate (
CHEBI:28355
)
2'-phospho-5'-adenylyl sulfate (
CHEBI:848
)
is a
adenosine bisphosphate (
CHEBI:22251
)
IUPAC Names
2'-
O
-phosphono-5'-adenylyl sulfate
5'-
O
-[hydroxy(sulfooxy)phosphoryl]adenosine 2'-(dihydrogen phosphate)
Synonyms
Sources
2'-phosphoadenylyl sulfate
ChEBI
2'-Phosphoadenylylsulfate
KEGG COMPOUND
Manual Xref
Database
C03568
KEGG COMPOUND
View more database links
Registry Number
Type
Source
15146055
Reaxys Registry Number
Reaxys
Last Modified
14 July 2011