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CHEBI:70800 - CDP-4-dehydro-3,6-dideoxy-α-D-glucose

ChEBI IDCHEBI:70800
ChEBI NameCDP-4-dehydro-3,6-dideoxy-α-D-glucose
Stars
ASCII NameCDP-4-dehydro-3,6-dideoxy-alpha-D-glucose
DefinitionA CDP-4-dehydro-3,6-dideoxy-D-glucose in which the anomeric centre of the pyranose fragment has α-configuration.
Last Modified16 February 2024
SubmitterSteve
DownloadsMolfile
FormulaC15H23N3O14P2
Net Charge0
Average Mass531.304
Monoisotopic Mass531.06553
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)CC1=O
InChIInChI=1S/C15H23N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6,8-9,11-14,20-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,8-,9-,11-,12-,13-,14-/m1/s1
InChIKeyDATWFRMXXZBEPM-SNAICPSHSA-N
ChEBI Ontology
Outgoing Relation(s)
CDP-4-dehydro-3,6-dideoxy-α-D-glucose (CHEBI:70800) is a CDP-4-dehydro-3,6-dideoxy-D-glucose (CHEBI:17817)
CDP-4-dehydro-3,6-dideoxy-α-D-glucose (CHEBI:70800) is conjugate acid of CDP-4-dehydro-3,6-dideoxy-α-D-glucose(2−) (CHEBI:70783)
Incoming Relation(s)
CDP-4-dehydro-3,6-dideoxy-α-D-glucose(2−) (CHEBI:70783) is conjugate base of CDP-4-dehydro-3,6-dideoxy-α-D-glucose (CHEBI:70800)
IUPAC Name 
cytidine 5'-[3-(3,6-dideoxy-α-D-erythro-hexopyranosyl-4-ulose) dihydrogen diphosphate]
Synonyms  Source
CDP-3,6-dideoxy-D-erythro-hexos-4-uloseKEGG COMPOUND
CDP-4-dehydro-3,6-dideoxy-D-glucoseKEGG COMPOUND
Cytidine diphosphate-4-keto-3,6-dideoxyglucoseChemIDplus
Manual XrefsDatabases
C04297KEGG COMPOUND
CPD-1078MetaCyc
Registry NumbersSources
Reaxys:7325576Reaxys
CAS:21870-27-9ChemIDplus
Citations