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CHEBI:145015 - 3''-O-propanoyl-ADP-D-ribose(2−)

ChEBI IDCHEBI:145015
ChEBI Name3''-O-propanoyl-ADP-D-ribose(2−)
Stars
ASCII Name3''-O-propanoyl-ADP-D-ribose(2-)
DefinitionA nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of 3''-O-butanoyl-ADP-D-ribose; major species at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC18H25N5O15P2
Net Charge-2
Average Mass613.366
Monoisotopic Mass613.08334
SMILESCCC(=O)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)OC(O)[C@@H]1O
InChIInChI=1S/C18H27N5O15P2/c1-2-9(24)37-14-8(36-18(28)13(14)27)4-34-40(31,32)38-39(29,30)33-3-7-11(25)12(26)17(35-7)23-6-22-10-15(19)20-5-21-16(10)23/h5-8,11-14,17-18,25-28H,2-4H2,1H3,(H,29,30)(H,31,32)(H2,19,20,21)/p-2/t7-,8-,11-,12-,13-,14-,17-,18?/m1/s1
InChIKeyQXEZVVRQEHCZDW-PMJZGJRDSA-L
ChEBI Ontology
Outgoing Relation(s)
3''-O-propanoyl-ADP-D-ribose(2−) (CHEBI:145015) has functional parent ADP-D-ribose(2−) (CHEBI:57967)
3''-O-propanoyl-ADP-D-ribose(2−) (CHEBI:145015) is a nucleotide-sugar oxoanion (CHEBI:59737)
Synonym  Source
3''-O-propionyl-ADP-D-riboseSUBMITTER
UniProt Name  Source
3''-O-propanoyl-ADP-D-riboseUniProt