CHEBI:139396 - CDP-4-dehydro-6-deoxy-α-D-glucose

ChEBI IDCHEBI:139396
ChEBI NameCDP-4-dehydro-6-deoxy-α-D-glucose
Stars
ASCII NameCDP-4-dehydro-6-deoxy-alpha-D-glucose
DefinitionA CDP-4-dehydro-6-deoxy-D-glucose in which the anomeric centre of the deoxyglucose fragment has α-configuration.
Last Modified6 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC15H23N3O15P2
Net Charge0
Average Mass547.303
Monoisotopic Mass547.06044
SMILESC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)C1=O
InChIInChI=1S/C15H23N3O15P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)18-3-2-7(16)17-15(18)24/h2-3,5-6,9-14,20-23H,4H2,1H3,(H,25,26)(H,27,28)(H2,16,17,24)/t5-,6-,9-,10+,11-,12-,13-,14-/m1/s1
InChIKeyPUBYMNIINUUJLL-JPHISPRKSA-N
ChEBI Ontology
Outgoing Relation(s)
CDP-4-dehydro-6-deoxy-α-D-glucose (CHEBI:139396) is a CDP-4-dehydro-6-deoxy-D-glucose (CHEBI:17494)
CDP-4-dehydro-6-deoxy-α-D-glucose (CHEBI:139396) is a secondary α-hydroxy ketone (CHEBI:2468)
CDP-4-dehydro-6-deoxy-α-D-glucose (CHEBI:139396) is conjugate acid of CDP-4-dehydro-6-deoxy-α-D-glucose(2−) (CHEBI:138808)
Incoming Relation(s)
CDP-4-dehydro-6-deoxy-α-D-glucose(2−) (CHEBI:138808) is conjugate base of CDP-4-dehydro-6-deoxy-α-D-glucose (CHEBI:139396)
IUPAC Name 
cytidine 5'-[3-(6-deoxy-α-D-xylo-hexopyranosyl-4-ulose) dihydrogen diphosphate]
Synonym  Source
CDP-4-dehydro-6-deoxy-D-glucoseKEGG COMPOUND
Manual XrefsDatabases
C01219KEGG COMPOUND
CPD-658MetaCyc
Registry NumbersSources
Reaxys:7326071Reaxys