EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:194486 - ADP-1-deoxy-O-didehydro-ribofuranosylium(1−)

ChEBI IDCHEBI:194486
ChEBI NameADP-1-deoxy-O-didehydro-ribofuranosylium(1−)
Stars
ASCII NameADP-1-deoxy-O-didehydro-ribofuranosylium(1-)
DefinitionMajor species at pH 7.3
Last Modified21 March 2023
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H20N5O13P2
Net Charge-1
Average Mass540.295
Monoisotopic Mass540.05383
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2[O+]=C[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H21N5O13P2/c16-13-9-14(18-4-17-13)20(5-19-9)15-12(24)11(23)8(32-15)3-31-35(27,28)33-34(25,26)30-2-7-10(22)6(21)1-29-7/h1,4-8,10-12,15,21-24H,2-3H2,(H3-,16,17,18,25,26,27,28)/p-1/t6-,7+,8+,10-,11+,12+,15+/m0/s1
InChIKeyKSCHUVRNGRNNEZ-AOOZFPJJSA-M
ChEBI Ontology
Outgoing Relation(s)
ADP-1-deoxy-O-didehydro-ribofuranosylium(1−) (CHEBI:194486) has functional parent ADP-D-ribose(2−) (CHEBI:57967)
ADP-1-deoxy-O-didehydro-ribofuranosylium(1−) (CHEBI:194486) is a nucleotide-sugar oxoanion (CHEBI:59737)
Synonym  Source
(2R,3S,4R)-3,4-dihydroxy-2-[(ADP)methyl]-3,4-dihydro-2H-1λ4-furan-1-yliumSUBMITTER
UniProt Name  Source
ADP-1-deoxy-1,O4-didehydro-D-riboseUniProt
Citations