CHEBI:144969 - 2''-O-(2-hydroxyisobutanoyl)-ADP-D-ribose(2−)

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ChEBI Name 2''-O-(2-hydroxyisobutanoyl)-ADP-D-ribose(2−)
ChEBI ID CHEBI:144969
ChEBI ASCII Name 2''-O-(2-hydroxyisobutanoyl)-ADP-D-ribose(2-)
Definition A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of 2''-O-(2-hydroxyisobutanoyl)-ADP-D-ribose; major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C19H27N5O16P2
Net Charge -2
Average Mass 643.393
Monoisotopic Mass 643.09390
InChI InChI=1S/C19H29N5O16P2/c1-19(2,30)18(29)39-13-11(26)8(38-17(13)28)4-36-42(33,34)40-41(31,32)35-3-7-10(25)12(27)16(37-7)24-6-23-9-14(20)21-5-22-15(9)24/h5-8,10-13,16-17,25-28,30H,3-4H2,1-2H3,(H,31,32)(H,33,34)(H2,20,21,22)/p-2/t7-,8-,10-,11-,12-,13-,16-,17?/m1/s1
InChIKey TXHWICCBLWPPDD-YDKGJHSESA-L
SMILES O1C(O)[C@H](OC(C(C)(C)O)=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-(2-hydroxyisobutanoyl)-ADP-D-ribose(2−) (CHEBI:144969) is a nucleotide-sugar oxoanion (CHEBI:59737)
Synonym Source
2''-O-(2-hydroxyisobutanoyl)-ADP-D-ribose UniProt