dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-glucose (CHEBI:81461)

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CHEBI:81461 - dTDP-4-dehydro-2,3,6-trideoxy-α-D-glucose

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ChEBI ID	CHEBI:81461
ChEBI Name	dTDP-4-dehydro-2,3,6-trideoxy-α-D-glucose
Stars
ASCII Name	dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-glucose
Definition	A pyrimidine nucleotide-sugar having thymine as the nucleobase and 4-dehydro-2,3,6-trideoxy-α-D-glucose as the sugar component.
Last Modified	11 March 2016
Downloads	Molfile

Formula	C16H24N2O13P2
Net Charge	0
Average Mass	514.317
Monoisotopic Mass	514.07536
SMILES	Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]3CCC(=O)[C@@H](C)O3)O2)c(=O)nc1=O
InChI	InChI=1S/C16H24N2O13P2/c1-8-6-18(16(22)17-15(8)21)13-5-11(20)12(29-13)7-27-32(23,24)31-33(25,26)30-14-4-3-10(19)9(2)28-14/h6,9,11-14,20H,3-5,7H2,1-2H3,(H,23,24)(H,25,26)(H,17,21,22)/t9-,11+,12-,13-,14-/m1/s1
InChIKey	YINKRXMSCURQIS-RHZHCTOVSA-N

Species of Metabolite	Component	Source	Comments
Saccharopolyspora spinosa (ncbitaxon:60894)	-	PubMed (18345667)

Roles Classification

Biological Role:

bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

ChEBI Ontology

Outgoing Relation(s)
	dTDP-4-dehydro-2,3,6-trideoxy-α-D-glucose (CHEBI:81461) has role bacterial metabolite (CHEBI:76969)
	dTDP-4-dehydro-2,3,6-trideoxy-α-D-glucose (CHEBI:81461) is a pyrimidine nucleotide-sugar (CHEBI:61109)
	dTDP-4-dehydro-2,3,6-trideoxy-α-D-glucose (CHEBI:81461) is conjugate acid of dTDP-4-dehydro-2,3,6-trideoxy-α-D-glucose(2−) (CHEBI:90944)
Incoming Relation(s)
	dTDP-4-dehydro-2,3,6-trideoxy-α-D-glucose(2−) (CHEBI:90944) is conjugate base of dTDP-4-dehydro-2,3,6-trideoxy-α-D-glucose (CHEBI:81461)

IUPAC Name
5'-O-{hydroxy[(hydroxy{[(2R,6R)-6-methyl-5-oxooxan-2-yl]oxy}phosphoryl)oxy]phosphoryl}thymidine

Synonyms	Source
dTDP-[(2R,6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl] ester	KEGG COMPOUND
dTDP-4-oxo-2,3,6-trideoxy-D-glucose	KEGG COMPOUND

Manual Xrefs	Databases
CPD-13382	MetaCyc

Registry Numbers	Sources
Reaxys:11232874	Reaxys

Citations