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CHEBI:189693 - 2''-O-octanoyl-ADP-D-ribose(2−)

ChEBI IDCHEBI:189693
ChEBI Name2''-O-octanoyl-ADP-D-ribose(2−)
Stars
ASCII Name2''-O-octanoyl-ADP-D-ribose(2-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC23H35N5O15P2
Net Charge-2
Average Mass683.501
Monoisotopic Mass683.16159
SMILESCCCCCCCC(=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/C23H37N5O15P2/c1-2-3-4-5-6-7-14(29)42-19-17(31)13(41-23(19)33)9-39-45(36,37)43-44(34,35)38-8-12-16(30)18(32)22(40-12)28-11-27-15-20(24)25-10-26-21(15)28/h10-13,16-19,22-23,30-33H,2-9H2,1H3,(H,34,35)(H,36,37)(H2,24,25,26)/p-2/t12-,13-,16-,17-,18-,19-,22-,23?/m1/s1
InChIKeyHMQLJKZQKUITKI-IUHSBPRQSA-L
ChEBI Ontology
Outgoing Relation(s)
2''-O-octanoyl-ADP-D-ribose(2−) (CHEBI:189693) is a O-acyl-ADP-D-ribose(2−) (CHEBI:138087)
UniProt Name  Source
2''-O-octanoyl-ADP-D-riboseUniProt