
 UDP-N-acetyl-glucosamine

 64 66  0  0  0  0  0  0  0  0999 V2000
    1.3341    3.1215   -1.5806 C   0  0  0  0  0
    2.0586    3.1068   -0.2618 C   0  0  0  0  0
    1.7345    3.8291    0.6757 O   0  0  0  0  0
    3.0938    2.2164   -0.2152 N   0  0  0  0  0
    3.8952    1.9165    0.9946 C   0  0  0  0  0
    3.0763    1.1309    2.0480 C   0  0  0  0  0
    2.6409   -0.2248    1.4746 C   0  0  0  0  0
    3.8148   -1.0085    0.8687 C   0  0  0  0  0
    4.6071   -0.1735    0.0054 O   0  0  0  0  0
    5.1068    1.0422    0.6048 C   0  0  0  0  0
    5.9073    0.8352    1.7330 O   0  0  0  0  0
    7.4768    0.5663    1.4487 P   0  0  0  0  0
    7.5482   -0.8565    0.9245 O   0  0  0  0  0
    8.0165    1.7089    0.6128 O   0  0  0  0  0
    8.0177    0.5886    2.9553 O   0  0  0  0  0
    8.3375    1.8740    3.8491 P   0  0  0  0  0
    7.2207    2.8922    3.7822 O   0  0  0  0  0
    8.8536    1.4292    5.2027 O   0  0  0  0  0
    9.6128    2.4355    3.0332 O   0  0  0  0  0
   10.1269    3.6875    3.4064 C   0  0  0  0  0
   11.1873    4.0595    2.3841 C   0  0  0  0  0
   10.6810    4.1744    0.9374 C   0  0  0  0  0
   11.7266    5.0826    0.3055 C   0  0  0  0  0
   12.1371    5.9787    1.4988 C   0  0  0  0  0
   11.8130    5.3144    2.7276 O   0  0  0  0  0
   13.5435    6.4066    1.5604 N   0  0  0  0  0
   13.8413    7.7544    1.4840 C   0  0  0  0  0
   15.0939    8.2110    1.5560 C   0  0  0  0  0
   16.1943    7.2487    1.7275 C   0  0  0  0  0
   17.3600    7.6249    1.7692 O   0  0  0  0  0
   15.8208    5.9454    1.8293 N   0  0  0  0  0
   14.5447    5.4549    1.7333 C   0  0  0  0  0
   14.3725    4.2375    1.7830 O   0  0  0  0  0
   12.7956    4.3261   -0.2766 O   0  0  0  0  0
    9.4026    4.8129    0.8570 O   0  0  0  0  0
    4.6371   -1.8153    1.8872 C   0  0  0  0  0
    5.6167   -2.6111    1.2154 O   0  0  0  0  0
    1.9082   -0.9633    2.4601 O   0  0  0  0  0
    1.8773    1.8081    2.4857 O   0  0  0  0  0
    1.4061    2.1503   -2.0791 H   0  0  0  0  0
    1.7617    3.8938   -2.2241 H   0  0  0  0  0
    0.2744    3.3295   -1.4061 H   0  0  0  0  0
    3.2807    1.6155   -1.0113 H   0  0  0  0  0
    4.2104    2.8727    1.4293 H   0  0  0  0  0
    3.6694    0.9784    2.9572 H   0  0  0  0  0
    1.9177   -0.0290    0.6719 H   0  0  0  0  0
    3.3821   -1.7592    0.1940 H   0  0  0  0  0
    5.6675    1.5636   -0.1793 H   0  0  0  0  0
   10.5702    3.6253    4.4065 H   0  0  0  0  0
    9.3375    4.4459    3.4491 H   0  0  0  0  0
   11.9786    3.2994    2.4071 H   0  0  0  0  0
   10.6142    3.1988    0.4450 H   0  0  0  0  0
   11.3169    5.7025   -0.4988 H   0  0  0  0  0
   11.4944    6.8684    1.4859 H   0  0  0  0  0
   13.0103    8.4413    1.3650 H   0  0  0  0  0
   15.3481    9.2591    1.4974 H   0  0  0  0  0
   16.5465    5.2541    1.9439 H   0  0  0  0  0
   13.2194    3.8226    0.4525 H   0  0  0  0  0
    8.7572    4.0840    1.0356 H   0  0  0  0  0
    3.9848   -2.5103    2.4257 H   0  0  0  0  0
    5.1371   -1.2001    2.6378 H   0  0  0  0  0
    6.3742   -1.9847    1.0195 H   0  0  0  0  0
    1.4331   -0.2724    2.9675 H   0  0  0  0  0
    1.9597    2.7426    2.1948 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  1 42  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 43  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  5 44  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  6 45  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  7 46  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 47  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 48  1  0  0  0
 11 12  1  0  0  0
 12 15  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 15 16  1  0  0  0
 16 19  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 49  1  0  0  0
 20 50  1  0  0  0
 21 25  1  0  0  0
 21 22  1  0  0  0
 21 51  1  0  0  0
 22 23  1  0  0  0
 22 35  1  0  0  0
 22 52  1  0  0  0
 23 24  1  0  0  0
 23 34  1  0  0  0
 23 53  1  0  0  0
 24 25  1  0  0  0
 24 26  1  0  0  0
 24 54  1  0  0  0
 26 27  1  0  0  0
 26 32  1  0  0  0
 27 28  2  0  0  0
 27 55  1  0  0  0
 28 29  1  0  0  0
 28 56  1  0  0  0
 29 31  1  0  0  0
 29 30  2  0  0  0
 31 32  1  0  0  0
 31 57  1  0  0  0
 32 33  2  0  0  0
 34 58  1  0  0  0
 35 59  1  0  0  0
 36 37  1  0  0  0
 36 60  1  0  0  0
 36 61  1  0  0  0
 37 62  1  0  0  0
 38 63  1  0  0  0
 39 64  1  0  0  0
M  CHG  2  14  -1  18  -1
M  END

>  <Chemical Name>
UDP-N-acetyl-glucosamine

>  <PubChem CID>
44440212

>  <Formula>
C17H25N3O17P2-2

>  <Molecular Weight>
605.339000

>  <IUPAC Name>
[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate

>  <XlogP>
-6.500

>  <Hydrogen Bond Donors>
7

>  <Hydrogen Bond Acceptors>
17

>  <Canonical SMILES>
CC(=O)NC1C(C(C(OC1OP(=O)([O-])OP(=O)([O-])OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O

>  <Isomeric SMILES>
CC(=O)N[C@H]1[C@@H]([C@H]([C@@H](O[C@H]1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O

>  <InChI Std. ID>
InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/p-2/t7-,8+,10-,11-,12+,13-,14+,15+,16-/m0/s1

>  <InChI Key>
LFTYTUAZOPRMMI-SBHKVJLYSA-L

