CHEBI:87833 - 2''-O-malonyl-ADP-D-ribose(3−)

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ChEBI Name 2''-O-malonyl-ADP-D-ribose(3−) ChEBI ID CHEBI:87833 ChEBI ASCII Name 2''-O-malonyl-ADP-D-ribose(3-) Definition A nucleotide-sugar oxoanion arising from deprotonation of the carboxy and diphosphate groups of 2''-O-malonyl-ADP-D-ribose; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Anne Morgat Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H22N5O17P2 Net Charge -3 Average Mass 642.339 Monoisotopic Mass 642.05024 InChI InChI=1S/C18H25N5O17P2/c19-15-10-16(21-4-20-15)23(5-22-10)17-13(29)11(27)6(37-17)2-35-41(31,32)40-42(33,34)36-3-7-12(28)14(18(30)38-7)39-9(26)1-8(24)25/h4-7,11-14,17-18,27-30H,1-3H2,(H,24,25)(H,31,32)(H,33,34)(H2,19,20,21)/p-3/t6-,7-,11-,12-,13-,14-,17-,18?/m1/s1 InChIKey MGHFTDDAANKBKA-IQSXCWIYSA-K SMILES O1C(O)[C@H](OC(CC([O-])=O)=O)[C@H](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-] ChEBI Ontology Outgoing 2''-O-malonyl-ADP-D-ribose(3−) (CHEBI:87833) is a O-acyl-ADP-D-ribose(2−) (CHEBI:138087) 2''-O-malonyl-ADP-D-ribose(3−) (CHEBI:87833) is a nucleotide-sugar oxoanion (CHEBI:59737) 2''-O-malonyl-ADP-D-ribose(3−) (CHEBI:87833) is conjugate base of 2''-O-malonyl-ADP-D-ribose (CHEBI:88146) Incoming 2''-O-malonyl-ADP-D-ribose (CHEBI:88146) is conjugate acid of 2''-O-malonyl-ADP-D-ribose(3−) (CHEBI:87833) Synonyms Sources 2''-O-malonyl-ADP-D-ribose UniProt 2''-O-malonyl-ADP-ribose(3−) ChEBI Citations Types Sources 21908771 PubMed citation SUBMITTER 22076378 PubMed citation SUBMITTER Last Modified 09 February 2022