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dTDP-2,6-dideoxy-D-glycero-hex-2-enos-4-ulose

Properties

Image

Occurences in reactions

MNX_ID

MNXM162672

	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	0

formula

C₁₆H₂₀N₂O₁₄P₂

charge

-2

mass

526.04007

reference

chebi:88119

InChIKey

QWDIAMULKXKCNE-NJIBTWPXSA-L

InChI

InChI=1S/C16H22N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h4-5,8-9,11-13,19-20H,3,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/p-2/t8-,9+,11-,12-,13-/m1/s1

SMILES

Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]3C=C(O)C(=O)[C@@H](C)O3)O2)c(=O)[nH]c1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:88119 chebi:88119	dTDP-2,6-dideoxy-D-glycero-hex-2-enos-4-ulose dTDP-(2R,6S)-4-hydroxy-2-methyl-3-oxo-3,6-dihydro-2H-pyran-3(6H)-one(2-) dTDP-2,3-dehydro-2,6-dideoxy-4-keto-alpha-D-glucose(2-)
seed.compound:cpd08727 seedM:cpd08727	dTDP 1-ester with (6R)-5,6-dihydro-4-hydroxy-6-methyl-5-oxo-2H-pyran dTDP-(2R,6S)-6-hydroxy-2-methyl-3-oxo-3,6-dihydro-2H-pyran-4-olate dTDP-2,6-dideoxy-D-glycero-hex-2-enos-4-ulose
CHEBI:90167 chebi:90167	dTDP-2,3-dehydro-2,6-dideoxy-4-keto-alpha-D-glucose 5'-O-{hydroxy[(hydroxy{[(2R,6R)-4-hydroxy-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]oxy}phosphoryl)oxy]phosphoryl}thymidine dTDP-(2R,6S)-4-hydroxy-2-methyl-3-oxo-3,6-dihydro-2H-pyran-3(6H)-one dTDP-2,6-dideoxy-D-glycero-hex-2-enos-4-ulose
metacyc.compound:CPD-13380 metacycM:CPD-13380 kegg.compound:C11930 keggC:C11930	dTDP-2,6-dideoxy-D-glycero-hex-2-enos-4-ulose
chebi:29715 keggC:M_C11930 seedM:M_cpd08727	secondary/obsolete/fantasy identifier