CHEBI:27645 - dTDP-3-dehydro-4,6-dideoxy-α-D-glucose

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dTDP-3-dehydro-4,6-dideoxy-α-D-glucose
ChEBI ID CHEBI:27645
ChEBI ASCII Name dTDP-3-dehydro-4,6-dideoxy-alpha-D-glucose
Definition A dTDP-sugar having 3-dehydro-4,6-dideoxy-α-D-glucose as the sugar component.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10503
Supplier Information
Download Molfile XML SDF
Formula C16H24N2O14P2
Net Charge 0
Average Mass 530.31436
Monoisotopic Mass 530.07028
InChI InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-14(7)22)12-4-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-15-13(21)10(20)3-8(2)29-15/h5,8-9,11-13,15,19,21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,11-,12-,13-,15-/m1/s1
InChIKey RZMOCWAVIGQAOB-DIRLFQLBSA-N
SMILES C[C@@H]1CC(=O)[C@@H](O)[C@H](O1)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
ChEBI Ontology
Outgoing dTDP-3-dehydro-4,6-dideoxy-α-D-glucose (CHEBI:27645) is a dTDP-sugar (CHEBI:23557)
dTDP-3-dehydro-4,6-dideoxy-α-D-glucose (CHEBI:27645) is a secondary α-hydroxy ketone (CHEBI:2468)
dTDP-3-dehydro-4,6-dideoxy-α-D-glucose (CHEBI:27645) is conjugate acid of dTDP-3-dehydro-4,6-dideoxy-α-D-glucose(2−) (CHEBI:76280)
Incoming dTDP-3-dehydro-4,6-dideoxy-α-D-glucose(2−) (CHEBI:76280) is conjugate base of dTDP-3-dehydro-4,6-dideoxy-α-D-glucose (CHEBI:27645)
IUPAC Name
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,3S,6R)-3-hydroxy-6-methyl-4-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate
Synonyms Sources
dTDP-3-keto-4,6-dideoxy-α-D-glucose ChEBI
dTDP-3-oxo-4,6-dideoxy-alpha-D-glucose KEGG COMPOUND
Manual Xref Database
C11909 KEGG COMPOUND
View more database links
Registry Number Type Source
20216654 Reaxys Registry Number Reaxys
Last Modified
06 February 2018