967
  -OEChem-04260609202D

 15 15  0     0  0  0  0  0  0999 V2000
    2.5369   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 11 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
967

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjOAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAQCAAACAiBgAABCALAAgCIACXSWACAAAAAAgAACACAAECCBAAAACAAEAAIFSIQEcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,6-dioxo-3H-pyrimidine-4-carboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2,6-dioxo-3H-pyrimidine-4-carboxylic acid

> <PUBCHEM_IUPAC_NAME>
2,6-dioxo-3H-pyrimidine-4-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,6-dioxo-3H-pyrimidine-4-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,6-dioxo-3H-pyrimidine-4-carboxylic acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)/f/h6-7,9H

> <PUBCHEM_CACTVS_XLOGP>
-1.264

> <PUBCHEM_CACTVS_EXACT_MASS>
156.017

> <PUBCHEM_OPENEYE_MF>
C5H4N2O4

> <PUBCHEM_OPENEYE_MW>
156.096

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C(NC(=O)NC1=O)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C(NC(=O)NC1=O)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
95.5

> <PUBCHEM_OPENEYE_MONOISOTOPICWT>
156.017

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
6

> <PUBCHEM_SUBSTANCE_ID>
3589

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00295

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 1.3.1.14
Is a reactant or product of enzyme EC 1.3.1.15
Is a reactant or product of enzyme EC 1.3.3.1
Is a reactant or product of enzyme EC 1.3.99.11
Is a reactant or product of enzyme EC 2.4.2.10

> <PUBCHEM_SUBSTANCE_SYNONYM>
65-86-1
C00295
Orotate
Orotic acid
Uracil-6-carboxylic acid

> <PUBCHEM_GENERIC_REGISTRY_NAME>
65-86-1

> <PUBCHEM_XREF_EXT_ID>
C00295

> <PUBCHEM_GENBANK_PROTEIN_ID>
576288
1310916
1421029
1421030
2098351
2098352
3660331
3660332
10835815
10835816
13096500
13096501
13096502
13096503
13096504
13096505
21466078
21466079
24987242
24987243
24987244
24987245
34809590
34809591
34809592
34809593
34809594
34809595
34809596
34809597
34809598
34809599
34809600
34809601
34810495
34810496
47169292
47169293
47169294

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00295

> <PUBCHEM_CID_ASSOCIATIONS>
967  1

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
5  8  8
5  9  8
6  10  8
6  8  8
9  11  8

$$$$

