3''-O-acetyl-ADP-D-ribose(2-)
A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of 3''-O-acetyl-ADP-D-ribose; major species at pH 7.3.
Also appears inslm
Related Synonyms
3''-O-acetyl-ADP-D-ribose
3OAADPr
class Information
charge
-2
formula
C17H23N5O15P2
has_dbxref
- MetaCyc:CPD-14763
- PMID:11893743
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C17H25N5O15P2/c1-6(23)34-13-8(36-17(27)12(13)26)3-33-39(30,31)37-38(28,29)32-2-7-10(24)11(25)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/p-2/t7-,8-,10-,11-,12-,13-,16-,17?/m1/s1
inchikey
HNHCIVXQBMBKPQ-YDKGJHSESA-L
in_subset
mass
599.337
monoisotopicmass
599.06769
smiles
O1C(O)[C@H](O)[C@H](OC(C)=O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)[O-])(=O)[O-]