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CHEBI:44706 - 5'-PHOSPHOTHYMIDINE (3'-5')-PYROPHOSPHATE ADENOSINE 3'-PHOSPHATE

Default Structure
ChEBI IDCHEBI:44706
ChEBI Name5'-PHOSPHOTHYMIDINE (3'-5')-PYROPHOSPHATE ADENOSINE 3'-PHOSPHATE
Stars
DownloadsMolfile
FormulaC20H27N7O20P4
Net Charge-2
Average Mass809.361
Monoisotopic Mass809.02723
SMILES[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])O[P@](=O)([O-])O[P@](=O)([O-])O[C@@]2([H])C([H])([H])[C@]([H])(n3c([H])c(C([H])([H])[H])c(=O)n([H])c3=O)O[C@]2([H])C([H])([H])OP(=O)(O[H])O[H])O[C@@]1([H])n1c([H])nc2c(N([H])[H])nc([H])nc21
InChIInChI=1S/C20H29N7O20P4/c1-8-3-26(20(30)25-18(8)29)12-2-9(10(43-12)4-41-48(31,32)33)45-51(39,40)47-50(37,38)42-5-11-15(46-49(34,35)36)14(28)19(44-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28H,2,4-5H2,1H3,(H,37,38)(H,39,40)(H2,21,22,23)(H,25,29,30)(H2,31,32,33)(H2,34,35,36)/p-2/t9-,10+,11+,12+,14+,15+,19+/m0/s1
InChIKeyDQGQNMNTNSHMMC-SLFMBYJQSA-L
ChEBI Ontology
Outgoing Relation(s)
5'-PHOSPHOTHYMIDINE (3'-5')-PYROPHOSPHATE ADENOSINE 3'-PHOSPHATE (CHEBI:44706) is a unclassifieds (CHEBI:27189)
Synonym  Source
5'-PHOSPHOTHYMIDINE (3'-5')-PYROPHOSPHATE ADENOSINE 3'-PHOSPHATEPDBeChem
Manual XrefsDatabases
PAXPDBeChem