NP-MRD: Showing NP-Card for Inosine triphosphate (NP0000216)

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Record Information

Version

1.0

Created at

2005-11-16 15:48:42 UTC

Updated at

2020-11-24 22:13:45 UTC

NP-MRD ID

NP0000216

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Inosine triphosphate

Description

Inosine triphosphate (ITP) is an intermediate in the purine metabolism pathway. Relatively high levels of ITP in red cells are found in individuals as result of deficiency of inosine triphosphatase (EC 3.1.3.56, ITPase) ITPase is a cytosolic nucleoside triphosphate pyrophosphohydrolase specific for ITP catalysis to inosine monophosphate (IMP) and deoxy-inosine triphosphate (dITP) to deoxy-inosine monophosphate. ITPase deficiency is not associated with any defined pathology other than the characteristic and abnormal accumulation of ITP in red blood cells. Nevertheless, ITPase deficiency may have pharmacogenomic implications, and the abnormal metabolism of 6-mercaptopurine in ITPase-deficient patients may lead to thiopurine drug toxicity. ITPase's function is not clearly understood but possible roles for ITPase could be to prevent the accumulation of rogue nucleotides which would be otherwise incorporated into DNA and RNA, or compete with nucleotides such as GTP in signalling processes. (PMID: 170291 , 1204209 , 17113761 , 17924837 ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

Inosine triphosphate.mol
  Mrv1652305271900162D          

 31 33  0  0  0  0            999 V2000
    1.4441   -0.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6594   -0.9952    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4045   -1.7798    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8894   -2.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4205   -1.7798    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9054   -2.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6754   -0.9952    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0080   -0.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4601   -0.7403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1275   -1.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7949   -0.7403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5400    0.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9525    0.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7775    0.7588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5400    1.4733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7150    1.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3025    0.7588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7150    0.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8243   -1.1101    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212   -0.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0274   -1.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0378   -1.9070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6108   -0.3132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1941    0.2701    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7775    0.8535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7775   -0.3132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6108    0.8535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8243    1.6504    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.0274    1.8639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0378    2.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212    1.4369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  6  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 12 18  2  0  0  0  0
  9 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
  1 21  1  0  0  0  0
M  END

HMDB0000189
     RDKit          3D
Inosine triphosphate
 46 48  0  0  0  0  0  0  0  0999 V2000
    7.4796    1.1414   -1.9172 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7635    1.0976   -0.5751 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.7609    0.4800    0.6352 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3322    2.6948   -0.1619 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3473    0.1953   -0.7526 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6014   -1.3959   -0.1830 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.8695   -1.3815    1.2849 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8306   -2.1554   -1.0270 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1104   -2.2183   -0.4736 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9319   -1.0846   -0.1358 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.1468    0.1226   -1.0108 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1014   -0.5877    1.5263 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3527   -1.5809   -0.2453 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5973   -0.5023   -0.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2490   -0.0521    0.3812 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1522    0.9050    0.0497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2932    0.6187    0.7496 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4920    1.2261    0.3462 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8365    2.4965    0.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1120    2.7091    0.1406 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5453    1.5478   -0.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7880    1.2326   -0.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7817    2.1943   -0.9442 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9706   -0.0316   -1.2518 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9960   -0.9475   -1.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7809   -0.6359   -0.6240 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5468    0.6136   -0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3497   -0.9233    0.5967 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2821   -1.4911    1.4122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9115   -1.2001    1.0733 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8064   -0.9470    2.4468 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0982   -0.4097    0.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5247    2.9419   -0.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6916   -3.1448   -0.9780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0929    0.3788    1.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0669   -0.8814   -1.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2257    0.2788   -1.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5122    0.4179    1.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1285    0.7402    1.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2328    3.2616    1.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4602    3.1688   -0.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2197   -1.9473   -1.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3915   -1.1532   -0.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9334   -2.2913    1.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5358   -2.1737    0.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5082   -1.3270    2.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 17 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 15  1  0
 27 18  1  0
 27 21  1  0
  3 32  1  0
  4 33  1  0
  8 34  1  0
 12 35  1  0
 14 36  1  0
 14 37  1  0
 15 38  1  1
 17 39  1  1
 19 40  1  0
 23 41  1  0
 25 42  1  0
 28 43  1  6
 29 44  1  0
 30 45  1  1
 31 46  1  0
M  END

Inosine triphosphate.mol
  Mrv1652305271900162D          

 31 33  0  0  0  0            999 V2000
    1.4441   -0.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6594   -0.9952    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4045   -1.7798    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8894   -2.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4205   -1.7798    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9054   -2.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6754   -0.9952    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0080   -0.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4601   -0.7403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1275   -1.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7949   -0.7403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5400    0.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9525    0.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7775    0.7588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5400    1.4733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7150    1.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3025    0.7588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7150    0.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8243   -1.1101    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212   -0.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0274   -1.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0378   -1.9070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6108   -0.3132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1941    0.2701    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7775    0.8535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7775   -0.3132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6108    0.8535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8243    1.6504    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.0274    1.8639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0378    2.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212    1.4369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  6  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 12 18  2  0  0  0  0
  9 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0000216

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

> <INCHI_KEY>
HAEJPQIATWHALX-KQYNXXCUSA-N

> <FORMULA>
C10H15N4O14P3

> <MOLECULAR_WEIGHT>
508.1658

> <EXACT_MASS>
507.979760744

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
38.09312434609224

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

> <ALOGPS_LOGP>
-0.67

> <JCHEM_LOGP>
-2.692500230604487

> <ALOGPS_LOGS>
-2.03

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.5318241759878544

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.9127201391685666

> <JCHEM_PKA_STRONGEST_BASIC>
-0.4994679811615551

> <JCHEM_POLAR_SURFACE_AREA>
273.3399999999999

> <JCHEM_REFRACTIVITY>
93.09479999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.78e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxypurin-9-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000189
     RDKit          3D
Inosine triphosphate
 46 48  0  0  0  0  0  0  0  0999 V2000
    7.4796    1.1414   -1.9172 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7635    1.0976   -0.5751 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.7609    0.4800    0.6352 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3322    2.6948   -0.1619 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3473    0.1953   -0.7526 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6014   -1.3959   -0.1830 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.8695   -1.3815    1.2849 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8306   -2.1554   -1.0270 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1104   -2.2183   -0.4736 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9319   -1.0846   -0.1358 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.1468    0.1226   -1.0108 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1014   -0.5877    1.5263 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3527   -1.5809   -0.2453 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5973   -0.5023   -0.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2490   -0.0521    0.3812 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1522    0.9050    0.0497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2932    0.6187    0.7496 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4920    1.2261    0.3462 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8365    2.4965    0.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1120    2.7091    0.1406 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5453    1.5478   -0.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7880    1.2326   -0.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7817    2.1943   -0.9442 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9706   -0.0316   -1.2518 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9960   -0.9475   -1.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7809   -0.6359   -0.6240 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5468    0.6136   -0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3497   -0.9233    0.5967 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2821   -1.4911    1.4122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9115   -1.2001    1.0733 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8064   -0.9470    2.4468 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0982   -0.4097    0.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5247    2.9419   -0.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6916   -3.1448   -0.9780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0929    0.3788    1.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0669   -0.8814   -1.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2257    0.2788   -1.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5122    0.4179    1.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1285    0.7402    1.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2328    3.2616    1.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4602    3.1688   -0.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2197   -1.9473   -1.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3915   -1.1532   -0.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9334   -2.2913    1.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5358   -2.1737    0.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5082   -1.3270    2.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 17 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 15  1  0
 27 18  1  0
 27 21  1  0
  3 32  1  0
  4 33  1  0
  8 34  1  0
 12 35  1  0
 14 36  1  0
 14 37  1  0
 15 38  1  1
 17 39  1  1
 19 40  1  0
 23 41  1  0
 25 42  1  0
 28 43  1  6
 29 44  1  0
 30 45  1  1
 31 46  1  0
M  END

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Inosine triphosphate.mol                          
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  C   UNK     0       2.696  -1.382   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.231  -1.858   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.755  -3.322   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       1.660  -4.568   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -0.785  -3.322   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -1.690  -4.568   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -1.261  -1.858   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -0.015  -0.953   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0      -2.726  -1.382   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      -3.971  -2.287   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -5.217  -1.382   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      -4.741   0.083   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.511   1.416   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -7.051   1.416   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0      -4.741   2.750   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0      -3.201   2.750   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0      -2.431   1.416   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      -3.201   0.083   0.000  0.00  0.00           C+0
HETATM   19  P   UNK     0       5.272  -2.072   0.000  0.00  0.00           P+0
HETATM   20  O   UNK     0       6.760  -1.674   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       3.784  -2.471   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       5.671  -3.560   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       4.873  -0.585   0.000  0.00  0.00           O+0
HETATM   24  P   UNK     0       5.962   0.504   0.000  0.00  0.00           P+0
HETATM   25  O   UNK     0       7.051   1.593   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       7.051  -0.585   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       4.873   1.593   0.000  0.00  0.00           O+0
HETATM   28  P   UNK     0       5.272   3.081   0.000  0.00  0.00           P+0
HETATM   29  O   UNK     0       3.784   3.479   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       5.671   4.568   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       6.760   2.682   0.000  0.00  0.00           O+0
CONECT    1    2   21                                                       
CONECT    2    1    3    8                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7    2                                                       
CONECT    9    7   10   18                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   18                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   12    9                                                  
CONECT   19   20   21   22   23                                             
CONECT   20   19                                                            
CONECT   21   19    1                                                       
CONECT   22   19                                                            
CONECT   23   19   24                                                       
CONECT   24   23   25   26   27                                             
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   24   28                                                       
CONECT   28   27   29   30   31                                             
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   28                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   66    0
END

COMPND    HMDB0000189
HETATM    1  O1  UNL     1       7.480   1.141  -1.917  1.00  0.00           O  
HETATM    2  P1  UNL     1       6.763   1.098  -0.575  1.00  0.00           P  
HETATM    3  O2  UNL     1       7.761   0.480   0.635  1.00  0.00           O  
HETATM    4  O3  UNL     1       6.332   2.695  -0.162  1.00  0.00           O  
HETATM    5  O4  UNL     1       5.347   0.195  -0.753  1.00  0.00           O  
HETATM    6  P2  UNL     1       5.601  -1.396  -0.183  1.00  0.00           P  
HETATM    7  O5  UNL     1       5.869  -1.382   1.285  1.00  0.00           O  
HETATM    8  O6  UNL     1       6.831  -2.155  -1.027  1.00  0.00           O  
HETATM    9  O7  UNL     1       4.110  -2.218  -0.474  1.00  0.00           O  
HETATM   10  P3  UNL     1       2.932  -1.085  -0.136  1.00  0.00           P  
HETATM   11  O8  UNL     1       3.147   0.123  -1.011  1.00  0.00           O  
HETATM   12  O9  UNL     1       3.101  -0.588   1.526  1.00  0.00           O  
HETATM   13  O10 UNL     1       1.353  -1.581  -0.245  1.00  0.00           O  
HETATM   14  C1  UNL     1       0.597  -0.502  -0.786  1.00  0.00           C  
HETATM   15  C2  UNL     1      -0.249  -0.052   0.381  1.00  0.00           C  
HETATM   16  O11 UNL     1      -1.152   0.905   0.050  1.00  0.00           O  
HETATM   17  C3  UNL     1      -2.293   0.619   0.750  1.00  0.00           C  
HETATM   18  N1  UNL     1      -3.492   1.226   0.346  1.00  0.00           N  
HETATM   19  C4  UNL     1      -3.837   2.497   0.562  1.00  0.00           C  
HETATM   20  N2  UNL     1      -5.112   2.709   0.141  1.00  0.00           N  
HETATM   21  C5  UNL     1      -5.545   1.548  -0.314  1.00  0.00           C  
HETATM   22  C6  UNL     1      -6.788   1.233  -0.846  1.00  0.00           C  
HETATM   23  O12 UNL     1      -7.782   2.194  -0.944  1.00  0.00           O  
HETATM   24  N3  UNL     1      -6.971  -0.032  -1.252  1.00  0.00           N  
HETATM   25  C7  UNL     1      -5.996  -0.948  -1.148  1.00  0.00           C  
HETATM   26  N4  UNL     1      -4.781  -0.636  -0.624  1.00  0.00           N  
HETATM   27  C8  UNL     1      -4.547   0.614  -0.201  1.00  0.00           C  
HETATM   28  C9  UNL     1      -2.350  -0.923   0.597  1.00  0.00           C  
HETATM   29  O13 UNL     1      -3.282  -1.491   1.412  1.00  0.00           O  
HETATM   30  C10 UNL     1      -0.912  -1.200   1.073  1.00  0.00           C  
HETATM   31  O14 UNL     1      -0.806  -0.947   2.447  1.00  0.00           O  
HETATM   32  H1  UNL     1       8.098  -0.410   0.359  1.00  0.00           H  
HETATM   33  H2  UNL     1       5.525   2.942  -0.694  1.00  0.00           H  
HETATM   34  H3  UNL     1       6.692  -3.145  -0.978  1.00  0.00           H  
HETATM   35  H4  UNL     1       3.093   0.379   1.549  1.00  0.00           H  
HETATM   36  H5  UNL     1      -0.067  -0.881  -1.604  1.00  0.00           H  
HETATM   37  H6  UNL     1       1.226   0.279  -1.171  1.00  0.00           H  
HETATM   38  H7  UNL     1       0.512   0.418   1.105  1.00  0.00           H  
HETATM   39  H8  UNL     1      -2.129   0.740   1.878  1.00  0.00           H  
HETATM   40  H9  UNL     1      -3.233   3.262   1.012  1.00  0.00           H  
HETATM   41  H10 UNL     1      -7.460   3.169  -0.976  1.00  0.00           H  
HETATM   42  H11 UNL     1      -6.220  -1.947  -1.528  1.00  0.00           H  
HETATM   43  H12 UNL     1      -2.391  -1.153  -0.464  1.00  0.00           H  
HETATM   44  H13 UNL     1      -2.933  -2.291   1.907  1.00  0.00           H  
HETATM   45  H14 UNL     1      -0.536  -2.174   0.779  1.00  0.00           H  
HETATM   46  H15 UNL     1      -1.508  -1.327   2.991  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   32
CONECT    4   33
CONECT    5    6
CONECT    6    7    7    8    9
CONECT    8   34
CONECT    9   10
CONECT   10   11   11   12   13
CONECT   12   35
CONECT   13   14
CONECT   14   15   36   37
CONECT   15   16   30   38
CONECT   16   17
CONECT   17   18   28   39
CONECT   18   19   27
CONECT   19   20   20   40
CONECT   20   21
CONECT   21   22   22   27
CONECT   22   23   24
CONECT   23   41
CONECT   24   25   25
CONECT   25   26   42
CONECT   26   27   27
CONECT   28   29   30   43
CONECT   29   44
CONECT   30   31   45
CONECT   31   46
END

HMDB0000189
     RDKit          3D
Inosine triphosphate
 46 48  0  0  0  0  0  0  0  0999 V2000
    7.4796    1.1414   -1.9172 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7635    1.0976   -0.5751 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.7609    0.4800    0.6352 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3322    2.6948   -0.1619 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3473    0.1953   -0.7526 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6014   -1.3959   -0.1830 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.8695   -1.3815    1.2849 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8306   -2.1554   -1.0270 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1104   -2.2183   -0.4736 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9319   -1.0846   -0.1358 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.1468    0.1226   -1.0108 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1014   -0.5877    1.5263 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3527   -1.5809   -0.2453 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5973   -0.5023   -0.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2490   -0.0521    0.3812 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1522    0.9050    0.0497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2932    0.6187    0.7496 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4920    1.2261    0.3462 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8365    2.4965    0.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1120    2.7091    0.1406 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5453    1.5478   -0.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7880    1.2326   -0.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7817    2.1943   -0.9442 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9706   -0.0316   -1.2518 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9960   -0.9475   -1.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7809   -0.6359   -0.6240 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5468    0.6136   -0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3497   -0.9233    0.5967 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2821   -1.4911    1.4122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9115   -1.2001    1.0733 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8064   -0.9470    2.4468 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0982   -0.4097    0.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5247    2.9419   -0.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6916   -3.1448   -0.9780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0929    0.3788    1.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0669   -0.8814   -1.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2257    0.2788   -1.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5122    0.4179    1.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1285    0.7402    1.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2328    3.2616    1.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4602    3.1688   -0.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2197   -1.9473   -1.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3915   -1.1532   -0.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9334   -2.2913    1.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5358   -2.1737    0.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5082   -1.3270    2.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 17 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 15  1  0
 27 18  1  0
 27 21  1  0
  3 32  1  0
  4 33  1  0
  8 34  1  0
 12 35  1  0
 14 36  1  0
 14 37  1  0
 15 38  1  1
 17 39  1  1
 19 40  1  0
 23 41  1  0
 25 42  1  0
 28 43  1  6
 29 44  1  0
 30 45  1  1
 31 46  1  0
M  END

View in JSmol

Synonyms

Value	Source
2'-Inosine-5'-triphosphate	ChEBI
Inosine 5'-triphosphate	ChEBI
Inosine tripolyphosphate	ChEBI
O(5')-(Tetrahydroxytriphosphoryl)inosine	ChEBI
2'-Inosine-5'-triphosphoric acid	Generator
Inosine 5'-triphosphoric acid	Generator
Inosine tripolyphosphoric acid	Generator
Inosine triphosphoric acid	Generator
5'-ITP	HMDB
5-ITP	HMDB
Inosine 5	HMDB
Inosine 5'-(tetrahydrogen triphosphate)	HMDB
Inosine 5(tetrahydrogen triphosphate)	HMDB
Inosine 5-triphopshate	HMDB
ITP	HMDB
ITT	HMDB
Triphosphate, inosine	HMDB
Inosine triphosphate	ChEBI

Chemical Formula

C₁₀H₁₅N₄O₁₄P₃

Average Mass

508.1658 Da

Monoisotopic Mass

507.97976 Da

IUPAC Name

({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

Traditional Name

({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxypurin-9-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid

CAS Registry Number

132-06-9

SMILES

O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2O

InChI Identifier

InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

InChI Key

HAEJPQIATWHALX-KQYNXXCUSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Capra aegagrus hircus	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Gallus gallus	FooDB	FooDB
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Mus musculus	LOTUS Database	35616633
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Paraburkholderia phymatum	-	KNApSAcK
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine ribonucleotides

Direct Parent

Purine ribonucleoside triphosphates

Alternative Parents

Substituents

Purine ribonucleoside triphosphate
Purine ribonucleoside monophosphate
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
6-oxopurine
Hypoxanthine
Monosaccharide phosphate
Imidazopyrimidine
Purine
Pyrimidone
Monoalkyl phosphate
Alkyl phosphate
Pyrimidine
Phosphoric acid ester
Monosaccharide
Organic phosphoric acid derivative
N-substituted imidazole
Tetrahydrofuran
Vinylogous amide
Azole
Imidazole
Heteroaromatic compound
Secondary alcohol
1,2-diol
Organoheterocyclic compound
Azacycle
Oxacycle
Alcohol
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

inosine phosphate (CHEBI:16039 )
purine ribonucleoside 5'-triphosphate (CHEBI:16039 )

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	903.5 mg/mL	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	4.78 g/L	ALOGPS
logP	-0.67	ALOGPS
logP	-2.7	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	0.91	ChemAxon
pKa (Strongest Basic)	-0.5	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	273.34 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	93.09 m³·mol⁻¹	ChemAxon
Polarizability	38.09 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

HMDB0000189

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Inosine triphosphate

METLIN ID

Not Available

PubChem Compound

8583

PDB ID

Not Available

ChEBI ID

16039

Good Scents ID

Not Available

References

General References

Lin S, McLennan AG, Ying K, Wang Z, Gu S, Jin H, Wu C, Liu W, Yuan Y, Tang R, Xie Y, Mao Y: Cloning, expression, and characterization of a human inosine triphosphate pyrophosphatase encoded by the itpa gene. J Biol Chem. 2001 Jun 1;276(22):18695-701. Epub 2001 Mar 13. [PubMed:11278832 ]
Sumi S, Marinaki AM, Arenas M, Fairbanks L, Shobowale-Bakre M, Rees DC, Thein SL, Ansari A, Sanderson J, De Abreu RA, Simmonds HA, Duley JA: Genetic basis of inosine triphosphate pyrophosphohydrolase deficiency. Hum Genet. 2002 Oct;111(4-5):360-7. Epub 2002 Aug 15. [PubMed:12384777 ]
Zachara B, Kopff M: Activity of inosine triphosphate pyrophosphohydrolase in fresh and stored human erythrocytes. Haematologia (Budap). 1981;14(3):277-83. [PubMed:6120123 ]
Vormittag W, Brannath W: As to the clastogenic-, sister-chromatid exchange inducing-and cytotoxic activity of inosine triphosphate in cultures of human peripheral lymphocytes. Mutat Res. 2001 May 9;476(1-2):71-81. [PubMed:11336985 ]
Dutta TK, Goel A, Ghotekar LH, Hamide A, Badhe BA, Basu D: Dapsone in treatment of chronic idiopathic thrombocytopenic purpura in adults. J Assoc Physicians India. 2001 Apr;49:421-5. [PubMed:11762611 ]
Soder C, Henderson JF, Zombor G, McCoy EE, Verhoef V, Morris AJ: Relationships between nucleoside triphosphate pyrophosphohydrolase activity and inosine triphosphate accumulation in human erythrocytes. Can J Biochem. 1976 Oct;54(10):843-7. [PubMed:990987 ]
Henderson JF, Zombor G, Fraser JH, McCoy EE, Verhoef V, Morris AJ: Factors affecting inosinate synthesis and inosine triphosphate accumulation in human erythrocytes. Can J Biochem. 1977 Apr;55(4):359-64. [PubMed:15708 ]
Klinker JF, Seifert R: Functionally nonequivalent interactions of guanosine 5'-triphosphate, inosine 5'-triphosphate, and xanthosine 5'-triphosphate with the retinal G-protein, transducin, and with Gi-proteins in HL-60 leukemia cell membranes. Biochem Pharmacol. 1997 Sep 1;54(5):551-62. [PubMed:9337071 ]
Zachara B, Lewandowski J: Isolation and identification of inosine triphosphate from human erythrocytes. Biochim Biophys Acta. 1974 Jun 27;353(2):253-9. [PubMed:4842021 ]
Mikami T, Yoshino Y, Ito A: Does a relationship exist between the urate pool in the body and lipid peroxidation during exercise? Free Radic Res. 2000 Jan;32(1):31-9. [PubMed:10625215 ]
Kopff M, Zachara B, Klem J, Zakrzewska I: [Accumulation of inosine triphosphate in human erythrocytes as a function of ITP-pyrophosphohydrolase activity]. Acta Haematol Pol. 1983 Jul-Dec;14(3-4):165-71. [PubMed:6147059 ]
Fraser JH, Meyers H, Henderson JF, Brox LW, McCoy EE: Individual variation in inosine triphosphate accumulation in human erythrocytes. Clin Biochem. 1975 Dec;8(6):353-64. [PubMed:1204209 ]

Showing NP-Card for Inosine triphosphate (NP0000216)

MOL for NP0000216 (Inosine triphosphate)

3D MOL for NP0000216 (Inosine triphosphate)

3D SDF for NP0000216 (Inosine triphosphate)

3D-SDF for NP0000216 (Inosine triphosphate)

PDB for NP0000216 (Inosine triphosphate)

3D PDB for NP0000216 (Inosine triphosphate)

SMILES for NP0000216 (Inosine triphosphate)

INCHI for NP0000216 (Inosine triphosphate)

Structure for NP0000216 (Inosine triphosphate)

3D Structure for NP0000216 (Inosine triphosphate)