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(Q110080598)
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English
3'-Phosphonato-5'-adenylyl sulfate
group of stereoisomers with the chemical formula C₁₀H₁₅N₅O₁₃P₂S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
506.9862298
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₅N₅O₁₃P₂S
0 references
canonical SMILES
O=P(O)(O)OC1C(O)C(OC1COP(=O)(O)OS(=O)(=O)O)N2C=NC=3C(=NC=NC32)N
0 references
found in taxon
Escherichia coli
1 reference
stated in
A comprehensive genome-scale reconstruction of Escherichia coli metabolism--2011.
Homo sapiens
1 reference
stated in
A community-driven global reconstruction of human metabolism.
Identifiers
InChI
InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)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)
0 references
InChIKey
GACDQMDRPRGCTN-UHFFFAOYSA-N
0 references
PubChem CID
990
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GACDQMDRPRGCTN-UHFFFAOYSA-N
UniChem compound ID
60600359
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0062646
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GACDQMDRPRGCTN-UHFFFAOYSA-N
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