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CHEBI:87129 - TDP-actinospectose

Default Structure
ChEBI IDCHEBI:87129
ChEBI NameTDP-actinospectose
Stars
DefinitionA TDP-sugar having actinospectose as the sugar component.
Last Modified6 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC16H24N2O15P2
Net Charge0
Average Mass546.315
Monoisotopic Mass546.06519
SMILESCc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](C)CC(=O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)nc1=O
InChIInChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-13(6)23)14-12(22)11(21)9(31-14)5-29-34(25,26)33-35(27,28)32-15-10(20)8(19)3-7(2)30-15/h4,7,9-12,14-15,20-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,9-,10-,11-,12-,14-,15-/m1/s1
InChIKeyQCYCUBSBNNSHPN-UAELIUPZSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
TDP-actinospectose (CHEBI:87129) has role bacterial metabolite (CHEBI:76969)
TDP-actinospectose (CHEBI:87129) is a secondary α-hydroxy ketone (CHEBI:2468)
TDP-actinospectose (CHEBI:87129) is a TDP-sugar (CHEBI:22080)
TDP-actinospectose (CHEBI:87129) is conjugate acid of TDP-actinospectose(2−) (CHEBI:86408)
Incoming Relation(s)
TDP-actinospectose(2−) (CHEBI:86408) is conjugate base of TDP-actinospectose (CHEBI:87129)
IUPAC Name 
5-methyluridine 5'-[3-(4,6-dideoxy-α-D-erythro-hexopyranos-3-ulosyl) dihydrogen diphosphate]
Synonym  Source
TDP-3-keto-4,6-dideoxyglucoseChEBI
Registry NumbersSources
Reaxys:10503719Reaxys