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

ChEBI IDCHEBI:40454
ChEBI Name[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl-ADP
Stars
ASCII Name[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl-ADP
Last Modified16 May 2008
DownloadsMolfile
FormulaC15H24N6O12P2
Net Charge0
Average Mass542.335
Monoisotopic Mass542.09274
SMILESNc1ncnc2c1ncn2[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
InChIInChI=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
InChIKeyNDQDTBCXPOIQGT-UHNJQBFTSA-N
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
[(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  Source
5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINEPDBeChem
adenosine 5'-diphosphate (hydroxymethyl)pyrrolidinediolChEBI
Manual XrefsDatabases
A1RPDBeChem
Registry NumbersSources
Beilstein:7260839Beilstein