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CHEBI:183235 - 2''-O-crotonyl-ADP-D-ribose

ChEBI IDCHEBI:183235
ChEBI Name2''-O-crotonyl-ADP-D-ribose
Stars
ASCII Name2''-O-crotonyl-ADP-D-ribose
DefinitionMajor microspecies at pH 7.3
SubmitterAnne Morgat
DownloadsMolfile
FormulaC19H25N5O15P2
Net Charge-2
Average Mass625.377
Monoisotopic Mass625.08334
SMILESC/C=C/C(=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/C19H27N5O15P2/c1-2-3-10(25)38-15-13(27)9(37-19(15)29)5-35-41(32,33)39-40(30,31)34-4-8-12(26)14(28)18(36-8)24-7-23-11-16(20)21-6-22-17(11)24/h2-3,6-9,12-15,18-19,26-29H,4-5H2,1H3,(H,30,31)(H,32,33)(H2,20,21,22)/p-2/b3-2+/t8-,9-,12-,13-,14-,15-,18-,19?/m1/s1
InChIKeyHWEPUSWATFRHSJ-UDCOKLPCSA-L
ChEBI Ontology
Outgoing Relation(s)
2''-O-crotonyl-ADP-D-ribose (CHEBI:183235) has functional parent ADP-D-ribose(2−) (CHEBI:57967)
2''-O-crotonyl-ADP-D-ribose (CHEBI:183235) has functional parent crotonate (CHEBI:35899)
2''-O-crotonyl-ADP-D-ribose (CHEBI:183235) is a nucleotide-sugar oxoanion (CHEBI:59737)
UniProt Name  Source
2''-O-(2E)-but-2-enoyl-ADP-D-riboseUniProt