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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2''-O-crotonyl-ADP-D-ribose
ChEBI ID CHEBI:183235
ChEBI ASCII Name 2''-O-crotonyl-ADP-D-ribose
Definition Major microspecies at pH 7.3
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C19H25N5O15P2
Net Charge -2
Average Mass 625.378
Monoisotopic Mass 625.08334
InChI InChI=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
InChIKey HWEPUSWATFRHSJ-UDCOKLPCSA-L
SMILES O1C(O)[C@H](OC(/C=C/C)=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-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)
Synonym Source
2''-O-(2E)-but-2-enoyl-ADP-D-ribose UniProt