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CHEBI:747494 - 2''-O-(3S)-3-hydroxy-3-methylglutaryl-ADP-D-ribose(3-)

Default Structure
ChEBI IDCHEBI:747494
ChEBI Name2''-O-(3S)-3-hydroxy-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-[(3S)-3-hydroxy-3-methylglutaryl]-ADP-D-ribose; major species at pH 7.3.
Last Modified7 April 2026
Submitternhn
DownloadsMolfile
FormulaC21H28N5O18P2
Net Charge-3
Average Mass700.420
Monoisotopic Mass700.09210
SMILESC[C@](O)(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/C21H31N5O18P2/c1-21(34,2-10(27)28)3-11(29)43-16-14(31)9(42-20(16)33)5-40-46(37,38)44-45(35,36)39-4-8-13(30)15(32)19(41-8)26-7-25-12-17(22)23-6-24-18(12)26/h6-9,13-16,19-20,30-34H,2-5H2,1H3,(H,27,28)(H,35,36)(H,37,38)(H2,22,23,24)/p-3/t8-,9-,13-,14-,15-,16-,19-,20?,21+/m1/s1
InChIKeyOKDJTIKDNKVAAD-BHPGLPAKSA-K
ChEBI Ontology
Outgoing Relation(s)
2''-O-(3S)-3-hydroxy-3-methylglutaryl-ADP-D-ribose(3-) (CHEBI:747494) is a O-acyl-ADP-D-ribose(2−) (CHEBI:138087)
2''-O-(3S)-3-hydroxy-3-methylglutaryl-ADP-D-ribose(3-) (CHEBI:747494) is a nucleotide-sugar oxoanion (CHEBI:59737)
UniProt Name  Source
2''-O-[(3S)-3-hydroxy-3-methylglutaryl]-ADP-D-riboseUniProt
Citations