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CHEBI:189844 - 2''-O-hexanoyl-ADP-D-ribose(2−)

ChEBI IDCHEBI:189844
ChEBI Name2''-O-hexanoyl-ADP-D-ribose(2−)
Stars
ASCII Name2''-O-hexanoyl-ADP-D-ribose(2-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H31N5O15P2
Net Charge-2
Average Mass655.447
Monoisotopic Mass655.13029
SMILESCCCCCC(=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/C21H33N5O15P2/c1-2-3-4-5-12(27)40-17-15(29)11(39-21(17)31)7-37-43(34,35)41-42(32,33)36-6-10-14(28)16(30)20(38-10)26-9-25-13-18(22)23-8-24-19(13)26/h8-11,14-17,20-21,28-31H,2-7H2,1H3,(H,32,33)(H,34,35)(H2,22,23,24)/p-2/t10-,11-,14-,15-,16-,17-,20-,21?/m1/s1
InChIKeyVCCDTGOUZKULQV-XOIFJVBMSA-L
ChEBI Ontology
Outgoing Relation(s)
2''-O-hexanoyl-ADP-D-ribose(2−) (CHEBI:189844) is a O-acyl-ADP-D-ribose(2−) (CHEBI:138087)
UniProt Name  Source
2''-O-hexanoyl-ADP-D-riboseUniProt