17473
  -OEChem-04260609322D

 59 61  0     1  0  0  0  0  0999 V2000
    7.1962   -0.5233    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301   -2.0233    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301   -1.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    0.3427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -2.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5054    1.7086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0497    0.0918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0327    2.4712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -1.3893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301   -2.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9999    2.8882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6378    6.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4176    3.5927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8189    4.6107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5233    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0109    2.6791    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9282    1.4767    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641   -4.5233    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5109    1.8131    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8417    1.0700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -5.0233    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7321   -4.5233    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7321   -3.5233    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660   -3.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4121    3.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2311    5.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8298    4.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2366    5.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0762    0.3427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6401   -2.5602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.7133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7576    1.1422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6393   -0.0998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -6.3333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.6433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.7133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4355    4.6756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501    1.5593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516    0.8690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.8333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6300    2.7116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4082    1.8144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.1433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7331    1.2343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3599    0.6798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.3333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -5.1433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.9033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2132    4.3369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8721    5.8168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1 16  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 17  2  0  0  0  0
  4 23  1  0  0  0  0
 24  5  1  6  0  0  0
  6 38  1  0  0  0  0
  7 39  1  0  0  0  0
 27  8  1  6  0  0  0
  8 40  1  0  0  0  0
 28  9  1  6  0  0  0
  9 41  1  0  0  0  0
 29 10  1  6  0  0  0
 10 42  1  0  0  0  0
 30 11  1  1  0  0  0
 11 43  1  0  0  0  0
 31 12  1  6  0  0  0
 12 44  1  0  0  0  0
 13 33  1  0  0  0  0
 13 45  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 24  1  0  0  0  0
 15 32  1  0  0  0  0
 18 33  2  0  0  0  0
 19 34  2  0  0  0  0
 20 35  2  0  0  0  0
 25 21  1  1  0  0  0
 21 34  1  0  0  0  0
 21 36  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 46  1  0  0  0  0
 26 23  1  1  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 27  1  0  0  0  0
 24 49  1  0  0  0  0
 25 28  1  0  0  0  0
 25 50  1  0  0  0  0
 26 29  1  0  0  0  0
 26 51  1  0  0  0  0
 27 30  1  0  0  0  0
 27 52  1  0  0  0  0
 28 29  1  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
 30 31  1  0  0  0  0
 30 55  1  0  0  0  0
 31 32  1  0  0  0  0
 31 56  1  0  0  0  0
 32 33  1  1  0  0  0
 32 57  1  0  0  0  0
 35 37  1  0  0  0  0
 36 37  2  0  0  0  0
 36 58  1  0  0  0  0
 37 59  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
17473

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
19

> <PUBCHEM_CACTVS_HBOND_DONOR>
9

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzPgMAAAAAAAAAAAAAAAAAASAAAAAkQAAAAAAAAAAAAAAAHgAQCCAACBTxgAcBCAPABxCIQCHWWIKAAAAAAgAIAAFIAECTEBYAgAQOQAAPNyIXAMH6fA5AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

> <PUBCHEM_IUPAC_NAME>
(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1/f/h16,24,27,29H

> <PUBCHEM_CACTVS_XLOGP>
-6.662

> <PUBCHEM_CACTVS_EXACT_MASS>
580.034

> <PUBCHEM_OPENEYE_MF>
C15H22N2O18P2

> <PUBCHEM_OPENEYE_MW>
580.285

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
308.61

> <PUBCHEM_OPENEYE_MONOISOTOPICWT>
580.034

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
37

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
9

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
3

> <PUBCHEM_SUBSTANCE_ID>
160632

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
002616640

> <PUBCHEM_SUBSTANCE_SYNONYM>
14520-48-0
2616-64-0
30329-32-9
3545-73-1
5918-40-1
UDPGA
URIDINE DIPHOSPHATE GLUCURONIC ACID
Udp glucuronic acid
Udp-glucuronic acid
Uridine 5'-diphospho-glucuronic acid
Uridine diphosphoglucuronic acid
Uridinediphosphoglucuronic acid
alpha-D-Glucopyranuronic acid, 1-P'-ester with uridine 5'-(trihydrogen diphosphate)

> <PUBCHEM_GENERIC_REGISTRY_NAME>
14520-48-0
2616-64-0
30329-32-9
3545-73-1
5918-40-1

> <PUBCHEM_XREF_EXT_ID>
002616640

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=002616640

> <PUBCHEM_CID_ASSOCIATIONS>
17473  1

> <PUBCHEM_BONDANNOTATIONS>
29  10  6
30  11  5
31  12  6
25  21  5
21  34  8
21  36  8
22  34  8
22  35  8
26  23  5
32  33  5
35  37  8
36  37  8
24  5  6
27  8  6
28  9  6

$$$$