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CHEBI:40809 - 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHORIBOSE

Default Structure
ChEBI IDCHEBI:40809
ChEBI Name2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHORIBOSE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC15H29N5O17P3
Net Charge+1
Average Mass644.337
Monoisotopic Mass644.07658
SMILES[H]O[C@]1([H])O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(n3c([H])nc4c3[N+]([H])([H])C([H])([H])N([H])[C@@]4([H])N([H])[H])[C@]([H])(OP(=O)(O[H])O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
InChIInChI=1S/C15H28N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(36-38(25,26)27)9(22)6(34-14)2-33-40(30,31)37-39(28,29)32-1-5-8(21)10(23)15(24)35-5/h4-6,8-12,14-15,17-18,21-24H,1-3,16H2,(H,28,29)(H,30,31)(H2,25,26,27)/p+1/t5-,6-,8-,9-,10-,11-,12-,14-,15-/m1/s1
InChIKeyQHNQLFGTVLWISK-MQSGHBOVSA-O
ChEBI Ontology
Outgoing Relation(s)
2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHORIBOSE (CHEBI:40809) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHORIBOSEPDBeChem
(6R)-6-amino-9-[(2R,3R,4R,5R)-4-hydroxy-5-({[(S)-hydroxy{[(R)-hydroxy{[(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methoxy}phosphoryl]oxy}phosphoryl]oxy}methyl)-3-(phosphonooxy)tetrahydrofuran-2-yl]-2,3,6,9-tetrahydro-1H-purin-3-ium (non-preferred name)PDBeChem
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