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

ChEBI IDCHEBI:87833
ChEBI Name2''-O-malonyl-ADP-D-ribose(3−)
Stars
ASCII Name2''-O-malonyl-ADP-D-ribose(3-)
DefinitionA 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.
Last Modified9 February 2022
SubmitterAnne Morgat
DownloadsMolfile
FormulaC18H22N5O17P2
Net Charge-3
Average Mass642.340
Monoisotopic Mass642.05024
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2OC(O)[C@H](OC(=O)CC(=O)[O-])[C@@H]2O)[C@@H](O)[C@H]1O
InChIInChI=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
InChIKeyMGHFTDDAANKBKA-IQSXCWIYSA-K
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
2''-O-malonyl-ADP-D-ribose (CHEBI:88146) is conjugate acid of 2''-O-malonyl-ADP-D-ribose(3−) (CHEBI:87833)
Synonym  Source
2''-O-malonyl-ADP-ribose(3−)ChEBI
UniProt Name  Source
2''-O-malonyl-ADP-D-riboseUniProt
Citations