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CHEBI:88146 - 2''-O-malonyl-ADP-D-ribose

ChEBI IDCHEBI:88146
ChEBI Name2''-O-malonyl-ADP-D-ribose
Stars
ASCII Name2''-O-malonyl-ADP-D-ribose
DefinitionA nucleotide-sugar having ADP as the nucleotide fragment and 2-O-malonyl-D-ribofuranos-5-yl as the sugar component.
Last Modified7 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC18H25N5O17P2
Net Charge0
Average Mass645.364
Monoisotopic Mass645.07207
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)/t6-,7-,11-,12-,13-,14-,17-,18?/m1/s1
InChIKeyMGHFTDDAANKBKA-IQSXCWIYSA-N
ChEBI Ontology
Outgoing Relation(s)
2''-O-malonyl-ADP-D-ribose (CHEBI:88146) has functional parent ADP-D-ribose (CHEBI:16960)
2''-O-malonyl-ADP-D-ribose (CHEBI:88146) is a nucleotide-sugar (CHEBI:25609)
2''-O-malonyl-ADP-D-ribose (CHEBI:88146) is conjugate acid of 2''-O-malonyl-ADP-D-ribose(3−) (CHEBI:87833)
Incoming Relation(s)
2''-O-malonyl-ADP-D-ribose(3−) (CHEBI:87833) is conjugate base of 2''-O-malonyl-ADP-D-ribose (CHEBI:88146)
IUPAC Name 
adenosine 5'-{3-[2-O-(carboxyacetyl)-D-ribofuranos-5-O-yl] dihydrogen diphosphate}
Synonym  Source
2''-O-malonyl-ADP-riboseChEBI