CHEBI:40454 - [(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl-ADP

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ChEBI Name [(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl-ADP
ChEBI ID CHEBI:40454
ChEBI ASCII Name [(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl-ADP
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H24N6O12P2
Net Charge 0
Average Mass 542.33182
Monoisotopic Mass 542.09274
InChI InChI=1S/C15H24N6O12P2/c16-13-9-14(19-4-18-13)21(5-20-9)15-12(25)11(24)8(32-15)3-31-35(28,29)33-34(26,27)30-2-6-10(23)7(22)1-17-6/h4-8,10-12,15,17,22-25H,1-3H2,(H,26,27)(H,28,29)(H2,16,18,19)/t6-,7+,8-,10-,11-,12-,15-/m1/s1
InChIKey NDQDTBCXPOIQGT-UHNJQBFTSA-N
SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2NC[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via nucleoside 5'-diphosphate )
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ChEBI Ontology
Outgoing [(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl-ADP (CHEBI:40454) is a dihydroxypyrrolidine (CHEBI:46776)
[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl-ADP (CHEBI:40454) is a purine ribonucleoside 5'-diphosphate (CHEBI:37038)
IUPAC Name
adenosine 5'-(3-{[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl} dihydrogen diphosphate)
Synonyms Sources
5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE PDBeChem
adenosine 5'-diphosphate (hydroxymethyl)pyrrolidinediol ChEBI
Manual Xref Database
A1R PDBeChem
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Registry Number Type Source
7260839 Beilstein Registry Number Beilstein
Last Modified
16 May 2008