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CHEBI:144969 - 2''-O-(2-hydroxyisobutanoyl)-ADP-D-ribose(2−)

ChEBI IDCHEBI:144969
ChEBI Name2''-O-(2-hydroxyisobutanoyl)-ADP-D-ribose(2−)
Stars
ASCII Name2''-O-(2-hydroxyisobutanoyl)-ADP-D-ribose(2-)
DefinitionA nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of 2''-O-(2-hydroxyisobutanoyl)-ADP-D-ribose; major species at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC19H27N5O16P2
Net Charge-2
Average Mass643.392
Monoisotopic Mass643.09390
SMILESCC(C)(O)C(=O)O[C@H]1C(O)O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@H]1O
InChIInChI=1S/C19H29N5O16P2/c1-19(2,30)18(29)39-13-11(26)8(38-17(13)28)4-36-42(33,34)40-41(31,32)35-3-7-10(25)12(27)16(37-7)24-6-23-9-14(20)21-5-22-15(9)24/h5-8,10-13,16-17,25-28,30H,3-4H2,1-2H3,(H,31,32)(H,33,34)(H2,20,21,22)/p-2/t7-,8-,10-,11-,12-,13-,16-,17?/m1/s1
InChIKeyTXHWICCBLWPPDD-YDKGJHSESA-L
ChEBI Ontology
Outgoing Relation(s)
2''-O-(2-hydroxyisobutanoyl)-ADP-D-ribose(2−) (CHEBI:144969) is a nucleotide-sugar oxoanion (CHEBI:59737)
UniProt Name  Source
2''-O-(2-hydroxyisobutanoyl)-ADP-D-riboseUniProt