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CHEBI:76279 - 2''-O-acetyl-ADP-D-ribose

ChEBI IDCHEBI:76279
ChEBI Name2''-O-acetyl-ADP-D-ribose
Stars
ASCII Name2''-O-acetyl-ADP-D-ribose
DefinitionA nucleotide-sugar having ADP as the nucleotide fragment and 2-O-acetyl-D-ribofuranos-5-yl as the sugar component.
Last Modified7 October 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H25N5O15P2
Net Charge0
Average Mass601.355
Monoisotopic Mass601.08224
SMILESCC(=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/C17H25N5O15P2/c1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)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)/t7-,8-,10-,11-,12-,13-,16-,17?/m1/s1
InChIKeyBFNOPXRXIQJDHO-YDKGJHSESA-N
ChEBI Ontology
Outgoing Relation(s)
2''-O-acetyl-ADP-D-ribose (CHEBI:76279) is a nucleotide-sugar (CHEBI:25609)
2''-O-acetyl-ADP-D-ribose (CHEBI:76279) is conjugate acid of 2''-O-acetyl-ADP-D-ribose(2−) (CHEBI:83767)
Incoming Relation(s)
2''-O-acetyl-ADP-D-ribose(2−) (CHEBI:83767) is conjugate base of 2''-O-acetyl-ADP-D-ribose (CHEBI:76279)
IUPAC Name 
adenosine 5'-[3-(2-O-acetyl-D-ribofuranos-5-O-yl) dihydrogen diphosphate]
Synonyms  Source
2'-O-acetyl adenosine-5-diphosphoriboseChEBI
2'-O-acetyl-ADP-riboseChEBI
OAADPrChEBI
O-acetyl-ADP-riboseChEBI
2'-OAADPrChEBI
Manual XrefsDatabases
CPD-14762MetaCyc
Registry NumbersSources
Reaxys:11290990Reaxys
Citations