EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:747495 - 2''-O-(3-methylglutaryl)-ADP-D-ribose(3-)

Default Structure
ChEBI IDCHEBI:747495
ChEBI Name2''-O-(3-methylglutaryl)-ADP-D-ribose(3-)
Stars
DefinitionA nucleotide-sugar oxoanion arising from deprotonation of the diphosphate and carboxylic acid OH groups of 2''-O-(3-methylglutaryl)-ADP-D-ribose; major species at pH 7.3.
Last Modified7 April 2026
Submitternhn
DownloadsMolfile
FormulaC21H28N5O17P2
Net Charge-3
Average Mass684.421
Monoisotopic Mass684.09719
SMILESCC(CC(=O)[O-])CC(=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/C21H31N5O17P2/c1-8(2-11(27)28)3-12(29)42-17-15(31)10(41-21(17)33)5-39-45(36,37)43-44(34,35)38-4-9-14(30)16(32)20(40-9)26-7-25-13-18(22)23-6-24-19(13)26/h6-10,14-17,20-21,30-33H,2-5H2,1H3,(H,27,28)(H,34,35)(H,36,37)(H2,22,23,24)/p-3/t8?,9-,10-,14-,15-,16-,17-,20-,21?/m1/s1
InChIKeySHPVFRMMVWFANO-YOWDFCBGSA-K
ChEBI Ontology
Outgoing Relation(s)
2''-O-(3-methylglutaryl)-ADP-D-ribose(3-) (CHEBI:747495) is a O-acyl-ADP-D-ribose(2−) (CHEBI:138087)
2''-O-(3-methylglutaryl)-ADP-D-ribose(3-) (CHEBI:747495) is a nucleotide-sugar oxoanion (CHEBI:59737)
UniProt Name  Source
2''-O-(3-methylglutaryl)-ADP-D-riboseUniProt
Citations