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GDP-beta-L-fucose

PubChem CID: 135398655

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Compound Synonyms GDP-beta-L-fucose, 15839-70-0, GDP-L-fucose, Gdp fucose, GDP-fucose, GDP-beta-L-Fucose, Disodium Salt, SM108QK2IH, Guanosine 5'-diphospho-beta-L-fucose, CHEBI:13332, GDP-.BETA.-L-FUCOSE, Guanosine 5'-diphospho-.beta.-L-fucose, Guanosine diphosphofucose, Guanosine 5'-diphospho-beta-L-fucopyranose, Guanosine-5'-Diphosphate-Beta-L-Fucopyranose, UNII-SM108QK2IH, guanosine 5'-[3-(6-deoxy-beta-L-galactopyranosyl) dihydrogen diphosphate], GUANOSINE PYROPHOSPHATE, L-FUCOSYL ESTER, [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] hydrogen phosphate, GUANOSINE 5'-PYROPHOSPHATE, .BETA.-L-FUCOPYRANOSYL ESTER, GUANOSINE 5'-(TRIHYDROGEN PYROPHOSPHATE), MONO(6-DEOXY-L-GALACTOPYRANOSYL) ESTER, (((2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl) methyl) ((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl) dihydrogen diphosphate, guanosine 5'-(3-(6-deoxy-beta-L-galactopyranosyl) dihydrogen diphosphate), (5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl ((3,4,5-trihydroxy-6-methyloxan-2-yl phosphonato)oxy)phosphonate, [5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(3,4,5-trihydroxy-6-methyloxan-2-yl phosphonato)oxy]phosphonate, GFB, SCHEMBL2229602, CHEMBL1229250, Guanosine 5'-(trihydrogen diphosphate), P'-(6-deoxy-beta-L-galactopyranosyl) ester, DTXSID101317930, C00325, E85097, Q27108966, GUANOSINE 5'-PYROPHOSPHATE, BETA-L-FUCOPYRANOSYL ESTER, [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
Topological Polar Surface Area 307.0
Hydrogen Bond Donor Count 9.0
Heavy Atom Count 38.0
Isotope Atom Count 0.0
Molecular Complexity 1040.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 9.0
Iupac Name [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] hydrogen phosphate
Nih Violation True
Prediction Hob 0.0
Xlogp -5.7
Is Pains False
Molecular Formula C16H25N5O15P2
Prediction Swissadme 0.0
Inchi Key LQEBEXMHBLQMDB-JGQUBWHWSA-N
Fcsp3 0.6875
Rotatable Bond Count 8.0
Compound Name GDP-beta-L-fucose
Prediction Hob Swissadme 0.0
Exact Mass 589.082
Formal Charge 0.0
Brenk Violation True
Monoisotopic Mass 589.082
Hydrogen Bond Acceptor Count 17.0
Molecular Weight 589.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 9.0
Total Bond Stereocenter Count 0.0
Esol -0.23059595789473902
Inchi InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1
Smiles C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)O)O)O)O
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients