MetaCyc Compound: UDP-3-dehydro-α-D-glucose

Synonyms: UDP-3-ketoglucose, UDP-3-keto-α-D-glucose

Chemical Formula: C15H20N2O17P2

Molecular Weight: 562.27 Daltons

Monoisotopic Molecular Weight: 564.0393703123 Daltons

UDP-3-dehydro-α-D-glucose compound structure

SMILES: C(O)C1(C(O)C(=O)C(O)C(O1)OP(=O)([O-])OP(=O)([O-])OCC2(C(O)C(O)C(O2)N3(C=CC(=O)NC(=O)3)))

InChI: InChI=1S/C15H22N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-9,11-14,18,20-21,23-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/p-2/t5-,6-,8-,9-,11-,12-,13-,14?/m1/s1


Unification Links: ChEBI:32274 , KEGG:C12210 , PubChem:90658817

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -580.82587 Inferred by computational analysis [Latendresse13]

Reactions known to produce the compound:

kanosamine biosynthesis I :
UDP-α-D-glucose + NAD+UDP-3-dehydro-α-D-glucose + NADH + H+

Reactions known to both consume and produce the compound:

kanosamine biosynthesis I :
UDP-3-dehydro-α-D-glucose + L-glutamine ↔ UDP-α-D-kanosamine + 2-oxoglutaramate


Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."

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Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
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