6175
  -OEChem-02210610492D

 30 31  0     1  0  0  0  0  0999 V2000
    5.0868    1.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086   -3.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    2.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208   -2.2367    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7208   -2.2367    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4118   -1.2857    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2208   -0.6979    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2208    3.3021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    1.8021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.3021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -2.9412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -3.0457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4607   -0.9766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888    0.3021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -1.2857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238    2.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238    0.4921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -3.3175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -3.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -2.1397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -2.1397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -1.7241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684   -0.4164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7578    3.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6839    3.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6676   -3.4428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -3.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  4  1  0  0  0  0
  1 18  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  6  3  1  6  0  0  0
  3 13  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  1  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  1  0  0  0
  8 24  1  0  0  0  0
  9 12  1  6  0  0  0
  9 17  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
6175

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQA4c8AAAAAAAAAAAAAAAAAAIAEAACAAAAAAAAAAAAAAHgAAAAAIEADhFAgAAAEGgAAGQANmIgCoAIAAdAACAAEYAAAIEIMQAACAAAIHAEAOABMCFgow8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one

> <PUBCHEM_IUPAC_NAME>
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one

> <PUBCHEM_NIST_INCHI>
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1/f/h10H2

> <PUBCHEM_CACTVS_XLOGP>
-2.712

> <PUBCHEM_OPENEYE_MF>
C9H13N3O5

> <PUBCHEM_OPENEYE_MW>
243.217

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

> <PUBCHEM_CACTVS_TPSA>
128.61

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <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>
3758

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00475

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 2.4.2.2
Is a reactant or product of enzyme EC 2.7.1.48
Is a reactant or product of enzyme EC 3.1.3.5
Is a reactant or product of enzyme EC 3.1.3.6
Is a reactant or product of enzyme EC 3.2.2.8
Is a reactant or product of enzyme EC 3.5.4.5

> <PUBCHEM_SUBSTANCE_SYNONYM>
65-46-3
C00475
Cytidine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
65-46-3

> <PUBCHEM_XREF_EXT_ID>
C00475

> <PUBCHEM_GENBANK_PROTEIN_ID>
1065119
1065122
2392080
2554676
4389236
5542500
5542532
5542533
6729724
20150067
20150068
20150069
20150070
20150071
20150072
20150073
20663960
20663961
24987754
38492430
38492431
48425254
48425255
48425784
48425785
48425786
48425787
48425788
48425789
48425790
48425791
48425792
48425793
48425799
48425800
49258560
49258561
49258562
49258563
49258659
49258660
49258661
49258662
49259412
49259413
49259414
49259415
49259416
49259417
49259418
49259419
50513263
50513264
50513265
50513266
52695314
62738505
62738506

> <PUBCHEM_GENBANK_NUCLEOTIDE_ID>
2392081

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/kegg2.html

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00475

> <PUBCHEM_CID_ASSOCIATIONS>
6175  1

> <PUBCHEM_BONDANNOTATIONS>
1  2  8
1  4  8
2  12  8
6  3  6
4  11  8
5  11  8
5  12  8
7  14  5
8  15  5
9  12  6

$$$$