MiMeDB: Showing metabocard for NADPH (MMDBc0029795)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:41:56 UTC

Update Date

2024-04-30 19:42:01 UTC

Metabolite ID

MMDBc0029795

Metabolite Identification

Common Name

NADPH

Description

Nicotinamide adenine dinucleotide phosphate. A coenzyme composed of ribosylnicotinamide 5'-phosphate (NMN) coupled by pyrophosphate linkage to the 5'-phosphate adenosine 2',5'-bisphosphate. It serves as an electron carrier in a number of reactions, being alternately oxidized (NADP+) and reduced (NADPH). (Dorland, 27th ed.)

Structure

MOL SDF PDB SMILES InChI

Untitled Document-3
  Mrv1652305271900232D          

 48 52  0  0  0  0            999 V2000
   -4.7715   -2.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9567   -2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6610   -1.4164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1802   -0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9951   -0.9043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2907   -1.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0512    0.0396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7863    0.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3696   -0.1692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1056   -1.8036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9977    0.6229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3722    1.3580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1870    1.2290    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3161    0.4141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5810    0.0396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7704    1.8123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5673    1.5988    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7808    2.3957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3538    0.8019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3642    1.3853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9977    2.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828    0.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6979    1.1613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1226    1.0751    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.2088    1.8956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9431    0.9889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0364    0.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4280    1.6563    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.7606    2.1412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954    1.1714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9129    2.3237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7334    2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0690    1.4838    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6565    0.7693    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2085    0.1563    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9622    0.4918    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8759    1.3123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6766    0.0793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6766   -0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3911   -1.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1056   -0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1056    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3911    0.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3911   -1.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1056   -2.3957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6766   -2.3957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0370   -0.6507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360    0.6831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  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
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 14  7  1  6  0  0  0
 13 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 12 21  1  1  0  0  0
 11 22  1  6  0  0  0
 22 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
 26 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
 31 32  1  0  0  0  0
 33 32  1  6  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 33  1  0  0  0  0
 36 38  1  6  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 38  1  0  0  0  0
 40 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 35 47  1  1  0  0  0
 34 48  1  1  0  0  0
M  END

Untitled Document-3
  Mrv1652305271900232D          

 48 52  0  0  0  0            999 V2000
   -4.7715   -2.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9567   -2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6610   -1.4164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1802   -0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9951   -0.9043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2907   -1.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0512    0.0396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7863    0.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3696   -0.1692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1056   -1.8036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9977    0.6229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3722    1.3580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1870    1.2290    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3161    0.4141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5810    0.0396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7704    1.8123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5673    1.5988    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7808    2.3957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3538    0.8019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3642    1.3853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9977    2.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1828    0.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6979    1.1613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1226    1.0751    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.2088    1.8956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9431    0.9889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0364    0.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4280    1.6563    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.7606    2.1412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954    1.1714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9129    2.3237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7334    2.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0690    1.4838    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6565    0.7693    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2085    0.1563    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9622    0.4918    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8759    1.3123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6766    0.0793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6766   -0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3911   -1.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1056   -0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1056    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3911    0.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3911   -1.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1056   -2.3957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6766   -2.3957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0370   -0.6507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360    0.6831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  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
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 14  7  1  6  0  0  0
 13 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 12 21  1  1  0  0  0
 11 22  1  6  0  0  0
 22 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
 26 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
 31 32  1  0  0  0  0
 33 32  1  6  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 33  1  0  0  0  0
 36 38  1  6  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 38  1  0  0  0  0
 40 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 35 47  1  1  0  0  0
 34 48  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029795

> <DATABASE_NAME>
MIME

> <SMILES>
NC(=O)C1=CN(C=CC1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H]([C@@H](OP(O)(O)=O)[C@H]2O)N2C=NC3=C(N)N=CN=C23)[C@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m0/s1

> <INCHI_KEY>
ACFIXJIJDZMPPO-NCHANQSKSA-N

> <FORMULA>
C21H30N7O17P3

> <MOLECULAR_WEIGHT>
745.4209

> <EXACT_MASS>
745.091102105

> <JCHEM_ACCEPTOR_COUNT>
18

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
63.02085938276495

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2S,3S,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[({[({[(2S,3R,4S,5S)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-1.13

> <JCHEM_LOGP>
-6.376368250362743

> <ALOGPS_LOGS>
-2.14

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
1.8806160343963003

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.6557894226872323

> <JCHEM_PKA_STRONGEST_BASIC>
4.00201652313229

> <JCHEM_POLAR_SURFACE_AREA>
364.15000000000003

> <JCHEM_REFRACTIVITY>
153.8726

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.45e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2S,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-{[({[(2S,3R,4S,5S)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Untitled Document-3                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  N   UNK     0      -8.907  -4.323   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      -7.386  -4.082   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      -6.834  -2.644   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0      -7.803  -1.447   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -9.324  -1.688   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -9.876  -3.126   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      -7.562   0.074   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      -8.934   0.773   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0     -10.023  -0.316   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0     -11.397  -3.367   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -3.729   1.163   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.428   2.535   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.949   2.294   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.190   0.773   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -4.818   0.074   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -7.038   3.383   0.000  0.00  0.00           O+0
HETATM   17  P   UNK     0      -8.526   2.984   0.000  0.00  0.00           P+0
HETATM   18  O   UNK     0      -8.924   4.472   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -8.127   1.497   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0     -10.013   2.586   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -3.729   3.907   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -2.208   0.922   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -1.303   2.168   0.000  0.00  0.00           O+0
HETATM   24  P   UNK     0       0.229   2.007   0.000  0.00  0.00           P+0
HETATM   25  O   UNK     0       0.390   3.538   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       1.760   1.846   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       0.068   0.475   0.000  0.00  0.00           O+0
HETATM   28  P   UNK     0       2.666   3.092   0.000  0.00  0.00           P+0
HETATM   29  O   UNK     0       1.420   3.997   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       3.911   2.187   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       3.571   4.338   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       5.102   4.177   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.729   2.770   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.959   1.436   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       5.989   0.292   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       7.396   0.918   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       7.235   2.450   0.000  0.00  0.00           O+0
HETATM   38  N   UNK     0       8.730   0.148   0.000  0.00  0.00           N+0
HETATM   39  C   UNK     0       8.730  -1.392   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      10.063  -2.162   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      11.397  -1.392   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      11.397   0.148   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      10.063   0.918   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      10.063  -3.702   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      11.397  -4.472   0.000  0.00  0.00           O+0
HETATM   46  N   UNK     0       8.730  -4.472   0.000  0.00  0.00           N+0
HETATM   47  O   UNK     0       5.669  -1.215   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0       3.427   1.275   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    6    9                                                  
CONECT    6    5    1   10                                                  
CONECT    7    4    8   14                                                  
CONECT    8    7    9                                                       
CONECT    9    8    5                                                       
CONECT   10    6                                                            
CONECT   11   12   15   22                                                  
CONECT   12   11   13   21                                                  
CONECT   13   12   14   16                                                  
CONECT   14   13   15    7                                                  
CONECT   15   14   11                                                       
CONECT   16   13   17                                                       
CONECT   17   16   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17                                                            
CONECT   21   12                                                            
CONECT   22   11   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26   27                                             
CONECT   25   24                                                            
CONECT   26   24   28                                                       
CONECT   27   24                                                            
CONECT   28   26   29   30   31                                             
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   28   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34   37                                                  
CONECT   34   33   35   48                                                  
CONECT   35   34   36   47                                                  
CONECT   36   35   37   38                                                  
CONECT   37   36   33                                                       
CONECT   38   36   39   43                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41   44                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   38                                                       
CONECT   44   40   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44                                                            
CONECT   47   35                                                            
CONECT   48   34                                                            
MASTER        0    0    0    0    0    0    0    0   48    0  104    0
END

Synonyms

Value	Source
2'-(Dihydrogen phosphate) 5'-(trihydrogen pyrophosphate) adenosine 5'-ester with 1,4-dihydro-1-b-D-ribofuranosylnicotinamide	HMDB
2'-(Dihydrogen phosphate) 5'-(trihydrogen pyrophosphate) adenosine 5'-ester with 1,4-dihydro-1-beta-delta-ribofuranosylnicotinamide	HMDB
Adenosine 5'-(trihydrogen diphosphate) 2'-(dihydrogen phosphate) p'-5'-ester with 1,4-dihydro-1-beta-D-ribofuranosyl-3-pyridinecarboxamide	HMDB
Adenosine 5'-(trihydrogen diphosphate) 2'-(dihydrogen phosphate) p'-5'-ester with 1,4-dihydro-1-beta-delta-ribofuranosyl-3-pyridinecarboxamide	HMDB
b-NADPH	HMDB
b-Nicotinamide-adenine-dinucleotide-phosphorate	HMDB
b-Nicotinamide-adenine-dinucleotide-phosphoric acid	HMDB
beta-NADPH	HMDB
beta-Nicotinamide-adenine-dinucleotide-phosphorate	HMDB
beta-Nicotinamide-adenine-dinucleotide-phosphoric acid	HMDB
Dihydrocodehydrogenase II	HMDB
Dihydronicotinamide adenine dinucleotide phosphate	HMDB
Dihydronicotinamide adenine dinucleotide-p	HMDB
Dihydrotriphosphopyridine nucleotide reduced	HMDB
NADP-reduced	HMDB
Nicotinamide adenine dinucleotide phosphate - reduced	HMDB
Nicotinamide-adenine-dinucleotide-phosphorate	HMDB
Nicotinamide-adenine-dinucleotide-phosphoric acid	HMDB
Reduced codehydrase II	HMDB
Reduced coenzyme II	HMDB
Reduced cozymase II	HMDB
Reduced triphosphopyridine nucleotide	HMDB
Triphosphopyridine nucleotide reduced	HMDB

Molecular Formula

C₂₁H₃₀N₇O₁₇P₃

Average Mass

745.4209

Monoisotopic Mass

745.091102105

IUPAC Name

{[(2S,3S,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[({[({[(2S,3R,4S,5S)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid

Traditional Name

[(2S,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-{[({[(2S,3R,4S,5S)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxyphosphonic acid

CAS Registry Number

53-57-6

SMILES

NC(=O)C1=CN(C=CC1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H]([C@@H](OP(O)(O)=O)[C@H]2O)N2C=NC3=C(N)N=CN=C23)[C@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m0/s1

InChI Key

ACFIXJIJDZMPPO-NCHANQSKSA-N

Chemical Taxonomy

Functional Ontology

Physical Properties

Spectra

Biological Properties

Human Proteins and Enzymes

Human Pathways

Metabolic Reactions

Health Effects and Bioactivity

Microbial Sources

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Animal	Not Available	Chondrus crispus	FooDB	Manually Annotated
Animal	Not Available	Clupea harengus harengus	FooDB	Manually Annotated
Animal	Not Available	Eucheuma	FooDB	Manually Annotated
Animal	Not Available	Haliotis	FooDB	Manually Annotated
Animal	Not Available	Laminaria	FooDB	Manually Annotated
Animal	Not Available	Lota lota	FooDB	Manually Annotated
Animal	Not Available	Myoxocephalus	FooDB	Manually Annotated
Animal	Not Available	Peprilus triacanthus	FooDB	Manually Annotated
Animal	Not Available	Porphyra umbilicalis	FooDB	Manually Annotated
Animal	Not Available	Rhodophyta	FooDB	Manually Annotated
Animal	Not Available	Saccharina japonica	FooDB	Manually Annotated
Animal	Not Available	Spirulina	FooDB	Manually Annotated
Animal	Not Available	Strombidae	FooDB	Manually Annotated
Animal	Not Available	Undaria pinnatifida	FooDB	Manually Annotated
Plant	Not Available	Not Available	FooDB	Manually Annotated
Plant	Not Available	Abelmoschus esculentus	FooDB	Manually Annotated
Plant	Not Available	Actinidia chinensis	FooDB	Manually Annotated
Plant	Not Available	Agaricus bisporus	FooDB	Manually Annotated
Plant	Not Available	Agave	FooDB	Manually Annotated
Plant	Not Available	Allium	FooDB	Manually Annotated
Plant	Not Available	Allium ampeloprasum	FooDB	Manually Annotated
Plant	Not Available	Allium ascalonicum	FooDB	Manually Annotated
Plant	Not Available	Allium cepa	FooDB	Manually Annotated
Plant	Not Available	Allium fistulosum	FooDB	Manually Annotated
Plant	Not Available	Allium sativum	FooDB	Manually Annotated
Plant	Not Available	Allium schoenoprasum	FooDB	Manually Annotated
Plant	Not Available	Allium tuberosum	FooDB	Manually Annotated
Plant	Not Available	Aloysia triphylla	FooDB	Manually Annotated
Plant	Not Available	Amaranthus	FooDB	Manually Annotated
Plant	Not Available	Amelanchier alnifolia	FooDB	Manually Annotated
Plant	Not Available	Anacardium occidentale	FooDB	Manually Annotated
Plant	Not Available	Ananas comosus	FooDB	Manually Annotated
Plant	Not Available	Anethum graveolens	FooDB	Manually Annotated
Plant	Not Available	Angelica keiskei	FooDB	Manually Annotated
Plant	Not Available	Annona cherimola	FooDB	Manually Annotated
Plant	Not Available	Annona muricata	FooDB	Manually Annotated
Plant	Not Available	Annona reticulata	FooDB	Manually Annotated
Plant	Not Available	Annona squamosa	FooDB	Manually Annotated
Plant	Not Available	Anthriscus cerefolium	FooDB	Manually Annotated
Plant	Not Available	Apium graveolens	FooDB	Manually Annotated
Plant	Not Available	Apium graveolens var. dulce	FooDB	Manually Annotated
Plant	Not Available	Apium graveolens var. rapaceum	FooDB	Manually Annotated
Plant	Not Available	Apium graveolens var. secalinum	FooDB	Manually Annotated
Plant	Not Available	Arachis hypogaea	FooDB	Manually Annotated
Plant	Not Available	Arctium lappa	FooDB	Manually Annotated
Plant	Not Available	Armoracia rusticana	FooDB	Manually Annotated
Plant	Not Available	Artemisia dracunculus	FooDB	Manually Annotated
Plant	Not Available	Artemisia vulgaris	FooDB	Manually Annotated
Plant	Not Available	Artocarpus altilis	FooDB	Manually Annotated
Plant	Not Available	Artocarpus heterophyllus	FooDB	Manually Annotated
Plant	Not Available	Asparagus officinalis	FooDB	Manually Annotated
Plant	Not Available	Attalea speciosa	FooDB	Manually Annotated
Plant	Not Available	Auricularia auricula-judae	FooDB	Manually Annotated
Plant	Not Available	Auricularia polytricha	FooDB	Manually Annotated
Plant	Not Available	Averrhoa carambola	FooDB	Manually Annotated
Plant	Not Available	Basella alba	FooDB	Manually Annotated
Plant	Not Available	Benincasa hispida	FooDB	Manually Annotated
Plant	Not Available	Bertholletia excelsa	FooDB	Manually Annotated
Plant	Not Available	Beta vulgaris	FooDB	Manually Annotated
Plant	Not Available	Beta vulgaris ssp. cicla	FooDB	Manually Annotated
Plant	Not Available	Beta vulgaris var. rubra	FooDB	Manually Annotated
Plant	Not Available	Borago officinalis	FooDB	Manually Annotated
Plant	Not Available	Brassica alboglabra	FooDB	Manually Annotated
Plant	Not Available	Brassica juncea	FooDB	Manually Annotated
Plant	Not Available	Brassica napus	FooDB	Manually Annotated
Plant	Not Available	Brassica napus var. pabularia	FooDB	Manually Annotated
Plant	Not Available	Brassica oleracea	FooDB	Manually Annotated
Plant	Not Available	Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	Manually Annotated
Plant	Not Available	Brassica oleracea var. botrytis	FooDB	Manually Annotated
Plant	Not Available	Brassica oleracea var. capitata	FooDB	Manually Annotated
Plant	Not Available	Brassica oleracea var. conica	FooDB	Manually Annotated
Plant	Not Available	Brassica oleracea var. costata	FooDB	Manually Annotated
Plant	Not Available	Brassica oleracea var. gemmifera	FooDB	Manually Annotated
Plant	Not Available	Brassica oleracea var. gongylodes	FooDB	Manually Annotated
Plant	Not Available	Brassica oleracea var. italica	FooDB	Manually Annotated
Plant	Not Available	Brassica oleracea var. sabauda	FooDB	Manually Annotated
Plant	Not Available	Brassica oleracea var. viridis	FooDB	Manually Annotated
Plant	Not Available	Brassica rapa	FooDB	Manually Annotated
Plant	Not Available	Brassica rapa var. chinensis	FooDB	Manually Annotated
Plant	Not Available	Brassica rapa var. pekinensis	FooDB	Manually Annotated
Plant	Not Available	Brassica rapa var. perviridis	FooDB	Manually Annotated
Plant	Not Available	Brassica rapa var. rapa	FooDB	Manually Annotated
Plant	Not Available	Brassica ruvo	FooDB	Manually Annotated
Plant	Not Available	Brosimum alicastrum	FooDB	Manually Annotated
Plant	Not Available	Byrsonima crassifolia	FooDB	Manually Annotated
Plant	Not Available	Cajanus cajan	FooDB	Manually Annotated
Plant	Not Available	Camellia oleifera	FooDB	Manually Annotated
Plant	Not Available	Camellia sinensis	FooDB	Manually Annotated
Plant	Not Available	Canarium ovatum	FooDB	Manually Annotated
Plant	Not Available	Cantharellus cibarius	FooDB	Manually Annotated
Plant	Not Available	Capparis spinosa	FooDB	Manually Annotated
Plant	Not Available	Capsicum	FooDB	Manually Annotated
Plant	Not Available	Capsicum annuum	FooDB	Manually Annotated
Plant	Not Available	Capsicum annuum var. annuum	FooDB	Manually Annotated
Plant	Not Available	Capsicum baccatum var. baccatum	FooDB	Manually Annotated
Plant	Not Available	Capsicum chinense	FooDB	Manually Annotated
Plant	Not Available	Capsicum pubescens	FooDB	Manually Annotated
Plant	Not Available	Carica papaya	FooDB	Manually Annotated
Plant	Not Available	Carissa macrocarpa	FooDB	Manually Annotated
Plant	Not Available	Carthamus tinctorius	FooDB	Manually Annotated
Plant	Not Available	Carum carvi	FooDB	Manually Annotated
Plant	Not Available	Carya	FooDB	Manually Annotated
Plant	Not Available	Carya illinoinensis	FooDB	Manually Annotated
Plant	Not Available	Castanea	FooDB	Manually Annotated
Plant	Not Available	Castanea crenata	FooDB	Manually Annotated
Plant	Not Available	Castanea mollissima	FooDB	Manually Annotated
Plant	Not Available	Castanea sativa	FooDB	Manually Annotated
Plant	Not Available	Ceratonia siliqua	FooDB	Manually Annotated
Plant	Not Available	Chamaemelum nobile	FooDB	Manually Annotated
Plant	Not Available	Chamerion angustifolium	FooDB	Manually Annotated
Plant	Not Available	Chenopodium album	FooDB	Manually Annotated
Plant	Not Available	Chenopodium quinoa	FooDB	Manually Annotated
Plant	Not Available	Chrysanthemum coronarium	FooDB	Manually Annotated
Plant	Not Available	Cicer arietinum	FooDB	Manually Annotated
Plant	Not Available	Cichorium endivia	FooDB	Manually Annotated
Plant	Not Available	Cichorium intybus	FooDB	Manually Annotated
Plant	Not Available	Cinnamomum	FooDB	Manually Annotated
Plant	Not Available	Cinnamomum aromaticum	FooDB	Manually Annotated
Plant	Not Available	Cinnamomum verum	FooDB	Manually Annotated
Plant	Not Available	Cirsium	FooDB	Manually Annotated
Plant	Not Available	Citrullus lanatus	FooDB	Manually Annotated
Plant	Not Available	Citrullus lanatus var. fistulosus	FooDB	Manually Annotated
Plant	Not Available	Citrus aurantiifolia	FooDB	Manually Annotated
Plant	Not Available	Citrus japonica	FooDB	Manually Annotated
Plant	Not Available	Citrus latifolia	FooDB	Manually Annotated
Plant	Not Available	Citrus limon	FooDB	Manually Annotated
Plant	Not Available	Citrus maxima	FooDB	Manually Annotated
Plant	Not Available	Citrus reticulata	FooDB	Manually Annotated
Plant	Not Available	Citrus sinensis	FooDB	Manually Annotated
Plant	Not Available	Citrus x paradisi	FooDB	Manually Annotated
Plant	Not Available	Cocos nucifera	FooDB	Manually Annotated
Plant	Not Available	Colocasia esculenta	FooDB	Manually Annotated
Plant	Not Available	Corchorus olitorius	FooDB	Manually Annotated
Plant	Not Available	Coriandrum sativum	FooDB	Manually Annotated
Plant	Not Available	Corylus	FooDB	Manually Annotated
Plant	Not Available	Corylus avellana	FooDB	Manually Annotated
Plant	Not Available	Crateva religiosa	FooDB	Manually Annotated
Plant	Not Available	Crocus sativus	FooDB	Manually Annotated
Plant	Not Available	Cucumis melo	FooDB	Manually Annotated
Plant	Not Available	Cucumis metuliferus	FooDB	Manually Annotated
Plant	Not Available	Cucumis sativus	FooDB	Manually Annotated
Plant	Not Available	Cucurbita	FooDB	Manually Annotated
Plant	Not Available	Cucurbita maxima	FooDB	Manually Annotated
Plant	Not Available	Cucurbita moschata	FooDB	Manually Annotated
Plant	Not Available	Cucurbita pepo var. clypeata	FooDB	Manually Annotated
Plant	Not Available	Cucurbita pepo var. cylindrica	FooDB	Manually Annotated
Plant	Not Available	Cuminum cyminum	FooDB	Manually Annotated
Plant	Not Available	Curcuma longa	FooDB	Manually Annotated
Plant	Not Available	Cyathea	FooDB	Manually Annotated
Plant	Not Available	Cydonia oblonga	FooDB	Manually Annotated
Plant	Not Available	Cymbopogon citratus	FooDB	Manually Annotated
Plant	Not Available	Cynara cardunculus	FooDB	Manually Annotated
Plant	Not Available	Cynara scolymus	FooDB	Manually Annotated
Plant	Not Available	Daucus carota	FooDB	Manually Annotated
Plant	Not Available	Daucus carota ssp. sativus	FooDB	Manually Annotated
Plant	Not Available	Dimocarpus longan	FooDB	Manually Annotated
Plant	Not Available	Dioscorea	FooDB	Manually Annotated
Plant	Not Available	Dioscorea pentaphylla	FooDB	Manually Annotated
Plant	Not Available	Diospyros	FooDB	Manually Annotated
Plant	Not Available	Diospyros kaki	FooDB	Manually Annotated
Plant	Not Available	Diospyros virginiana	FooDB	Manually Annotated
Plant	Not Available	Durio zibethinus	FooDB	Manually Annotated
Plant	Not Available	Dysphania ambrosioides	FooDB	Manually Annotated
Plant	Not Available	Elaeis	FooDB	Manually Annotated
Plant	Not Available	Eleocharis dulcis	FooDB	Manually Annotated
Plant	Not Available	Elettaria cardamomum	FooDB	Manually Annotated
Plant	Not Available	Empetrum nigrum	FooDB	Manually Annotated
Plant	Not Available	Eragrostis tef	FooDB	Manually Annotated
Plant	Not Available	Eriobotrya japonica	FooDB	Manually Annotated
Plant	Not Available	Eruca vesicaria ssp. sativa	FooDB	Manually Annotated
Plant	Not Available	Eugenia javanica	FooDB	Manually Annotated
Plant	Not Available	Eugenia uniflora	FooDB	Manually Annotated
Plant	Not Available	Fagus	FooDB	Manually Annotated
Plant	Not Available	Feijoa sellowiana	FooDB	Manually Annotated
Plant	Not Available	Ficus carica	FooDB	Manually Annotated
Plant	Not Available	Flammulina velutipes	FooDB	Manually Annotated
Plant	Not Available	Foeniculum vulgare	FooDB	Manually Annotated
Plant	Not Available	Fragaria x ananassa	FooDB	Manually Annotated
Plant	Not Available	Garcinia mangostana	FooDB	Manually Annotated
Plant	Not Available	Gaylussacia baccata	FooDB	Manually Annotated
Plant	Not Available	Ginkgo biloba	FooDB	Manually Annotated
Plant	Not Available	Glycine max	FooDB	Manually Annotated
Plant	Not Available	Gossypium	FooDB	Manually Annotated
Plant	Not Available	Grataegosorbus mitschurinii	FooDB	Manually Annotated
Plant	Not Available	Grifola frondosa	FooDB	Manually Annotated
Plant	Not Available	Hedysarum alpinum	FooDB	Manually Annotated
Plant	Not Available	Helianthus annuus	FooDB	Manually Annotated
Plant	Not Available	Helianthus tuberosus	FooDB	Manually Annotated
Plant	Not Available	Hibiscus sabdariffa	FooDB	Manually Annotated
Plant	Not Available	Hippophae rhamnoides	FooDB	Manually Annotated
Plant	Not Available	Hyssopus officinalis	FooDB	Manually Annotated
Plant	Not Available	Illicium verum	FooDB	Manually Annotated
Plant	Not Available	Ipomoea aquatica	FooDB	Manually Annotated
Plant	Not Available	Ipomoea batatas	FooDB	Manually Annotated
Plant	Not Available	Juglans	FooDB	Manually Annotated
Plant	Not Available	Juglans ailanthifolia	FooDB	Manually Annotated
Plant	Not Available	Juglans cinerea	FooDB	Manually Annotated
Plant	Not Available	Juglans nigra	FooDB	Manually Annotated
Plant	Not Available	Juglans regia	FooDB	Manually Annotated
Plant	Not Available	Lablab purpureus	FooDB	Manually Annotated
Plant	Not Available	Lactuca sativa	FooDB	Manually Annotated
Plant	Not Available	Lactuca sativa l. var. longifolia	FooDB	Manually Annotated
Plant	Not Available	Lagenaria siceraria	FooDB	Manually Annotated
Plant	Not Available	Lathyrus sativus	FooDB	Manually Annotated
Plant	Not Available	Laurus nobilis	FooDB	Manually Annotated
Plant	Not Available	Lens culinaris	FooDB	Manually Annotated
Plant	Not Available	Lentinus edodes	FooDB	Manually Annotated
Plant	Not Available	Lepidium sativum	FooDB	Manually Annotated
Plant	Not Available	Levisticum officinale	FooDB	Manually Annotated
Plant	Not Available	Linum usitatissimum	FooDB	Manually Annotated
Plant	Not Available	Lippia graveolens	FooDB	Manually Annotated
Plant	Not Available	Litchi chinensis	FooDB	Manually Annotated
Plant	Not Available	Luffa aegyptiaca	FooDB	Manually Annotated
Plant	Not Available	Lupinus	FooDB	Manually Annotated
Plant	Not Available	Lupinus albus	FooDB	Manually Annotated
Plant	Not Available	Macadamia	FooDB	Manually Annotated
Plant	Not Available	Macadamia tetraphylla	FooDB	Manually Annotated
Plant	Not Available	Malpighia emarginata	FooDB	Manually Annotated
Plant	Not Available	Malus	FooDB	Manually Annotated
Plant	Not Available	Malus pumila	FooDB	Manually Annotated
Plant	Not Available	Mammea americana	FooDB	Manually Annotated
Plant	Not Available	Mangifera indica	FooDB	Manually Annotated
Plant	Not Available	Manihot esculenta	FooDB	Manually Annotated
Plant	Not Available	Manilkara zapota	FooDB	Manually Annotated
Plant	Not Available	Maranta arundinacea	FooDB	Manually Annotated
Plant	Not Available	Matricaria recutita	FooDB	Manually Annotated
Plant	Not Available	Matteuccia struthiopteris	FooDB	Manually Annotated
Plant	Not Available	Medicago sativa	FooDB	Manually Annotated
Plant	Not Available	Melissa officinalis	FooDB	Manually Annotated
Plant	Not Available	Mentha	FooDB	Manually Annotated
Plant	Not Available	Mentha aquatica	FooDB	Manually Annotated
Plant	Not Available	Mentha arvensis	FooDB	Manually Annotated
Plant	Not Available	Mentha spicata	FooDB	Manually Annotated
Plant	Not Available	Mentha x piperita	FooDB	Manually Annotated
Plant	Not Available	Mespilus germanica	FooDB	Manually Annotated
Plant	Not Available	Metroxylon sagu	FooDB	Manually Annotated
Plant	Not Available	Momordica charantia	FooDB	Manually Annotated
Plant	Not Available	Moringa oleifera	FooDB	Manually Annotated
Plant	Not Available	Morus	FooDB	Manually Annotated
Plant	Not Available	Morus nigra	FooDB	Manually Annotated
Plant	Not Available	Musa acuminata	FooDB	Manually Annotated
Plant	Not Available	Musa x paradisiaca	FooDB	Manually Annotated
Plant	Not Available	Myrica	FooDB	Manually Annotated
Plant	Not Available	Myrica rubra	FooDB	Manually Annotated
Plant	Not Available	Myristica fragrans	FooDB	Manually Annotated
Plant	Not Available	Nelumbo	FooDB	Manually Annotated
Plant	Not Available	Nelumbo nucifera	FooDB	Manually Annotated
Plant	Not Available	Nephelium lappaceum	FooDB	Manually Annotated
Plant	Not Available	Nuphar lutea	FooDB	Manually Annotated
Plant	Not Available	Ocimum basilicum	FooDB	Manually Annotated
Plant	Not Available	Oenothera biennis	FooDB	Manually Annotated
Plant	Not Available	Olea europaea	FooDB	Manually Annotated
Plant	Not Available	Opuntia	FooDB	Manually Annotated
Plant	Not Available	Opuntia cochenillifera	FooDB	Manually Annotated
Plant	Not Available	Opuntia macrorhiza	FooDB	Manually Annotated
Plant	Not Available	Origanum majorana	FooDB	Manually Annotated
Plant	Not Available	Origanum onites	FooDB	Manually Annotated
Plant	Not Available	Origanum vulgare	FooDB	Manually Annotated
Plant	Not Available	Origanum x majoricum	FooDB	Manually Annotated
Plant	Not Available	Pachyrhizus erosus	FooDB	Manually Annotated
Plant	Not Available	Panax	FooDB	Manually Annotated
Plant	Not Available	Pangium edule	FooDB	Manually Annotated
Plant	Not Available	Papaver	FooDB	Manually Annotated
Plant	Not Available	Passiflora edulis	FooDB	Manually Annotated
Plant	Not Available	Pastinaca sativa	FooDB	Manually Annotated
Plant	Not Available	Pediomelum esculentum	FooDB	Manually Annotated
Plant	Not Available	Perideridia oregana	FooDB	Manually Annotated
Plant	Not Available	Persea americana	FooDB	Manually Annotated
Plant	Not Available	Petasites japonicus	FooDB	Manually Annotated
Plant	Not Available	Petroselinum crispum	FooDB	Manually Annotated
Plant	Not Available	Phaseolus coccineus	FooDB	Manually Annotated
Plant	Not Available	Phaseolus lunatus	FooDB	Manually Annotated
Plant	Not Available	Phaseolus vulgaris	FooDB	Manually Annotated
Plant	Not Available	Phoenix dactylifera	FooDB	Manually Annotated
Plant	Not Available	Photinia melanocarpa	FooDB	Manually Annotated
Plant	Not Available	Phyllostachys edulis	FooDB	Manually Annotated
Plant	Not Available	Physalis	FooDB	Manually Annotated
Plant	Not Available	Physalis philadelphica var. immaculata	FooDB	Manually Annotated
Plant	Not Available	Phytolacca americana	FooDB	Manually Annotated
Plant	Not Available	Pimenta dioica	FooDB	Manually Annotated
Plant	Not Available	Pimpinella anisum	FooDB	Manually Annotated
Plant	Not Available	Pinus	FooDB	Manually Annotated
Plant	Not Available	Pinus edulis	FooDB	Manually Annotated
Plant	Not Available	Piper nigrum	FooDB	Manually Annotated
Plant	Not Available	Pistacia vera	FooDB	Manually Annotated
Plant	Not Available	Pisum sativum	FooDB	Manually Annotated
Plant	Not Available	Pleurotus ostreatus	FooDB	Manually Annotated
Plant	Not Available	Polygonum alpinum	FooDB	Manually Annotated
Plant	Not Available	Portulaca oleracea	FooDB	Manually Annotated
Plant	Not Available	Pouteria sapota	FooDB	Manually Annotated
Plant	Not Available	Prunus	FooDB	Manually Annotated
Plant	Not Available	Prunus armeniaca	FooDB	Manually Annotated
Plant	Not Available	Prunus avium	FooDB	Manually Annotated
Plant	Not Available	Prunus cerasus	FooDB	Manually Annotated
Plant	Not Available	Prunus domestica	FooDB	Manually Annotated
Plant	Not Available	Prunus dulcis	FooDB	Manually Annotated
Plant	Not Available	Prunus persica	FooDB	Manually Annotated
Plant	Not Available	Prunus persica var. nucipersica	FooDB	Manually Annotated
Plant	Not Available	Prunus persica var. persica	FooDB	Manually Annotated
Plant	Not Available	Prunus tomentosa	FooDB	Manually Annotated
Plant	Not Available	Prunus virginiana	FooDB	Manually Annotated
Plant	Not Available	Psidium cattleianum	FooDB	Manually Annotated
Plant	Not Available	Psidium guajava	FooDB	Manually Annotated
Plant	Not Available	Psophocarpus tetragonolobus	FooDB	Manually Annotated
Plant	Not Available	Punica granatum	FooDB	Manually Annotated
Plant	Not Available	Pyrus communis	FooDB	Manually Annotated
Plant	Not Available	Pyrus pyrifolia	FooDB	Manually Annotated
Plant	Not Available	Quercus	FooDB	Manually Annotated
Plant	Not Available	Raphanus sativus	FooDB	Manually Annotated
Plant	Not Available	Raphanus sativus var. niger	FooDB	Manually Annotated
Plant	Not Available	Raphanus sativus var. sativus	FooDB	Manually Annotated
Plant	Not Available	Rheum rhabarbarum	FooDB	Manually Annotated
Plant	Not Available	Ribes aureum var. villosum	FooDB	Manually Annotated
Plant	Not Available	Ribes glandulosum	FooDB	Manually Annotated
Plant	Not Available	Ribes nigrum	FooDB	Manually Annotated
Plant	Not Available	Ribes rubrum	FooDB	Manually Annotated
Plant	Not Available	Ribes uva-crispa	FooDB	Manually Annotated
Plant	Not Available	Ribes x nidigrolaria	FooDB	Manually Annotated
Plant	Not Available	Rosa	FooDB	Manually Annotated
Plant	Not Available	Rosmarinus officinalis	FooDB	Manually Annotated
Plant	Not Available	Rubus arcticus	FooDB	Manually Annotated
Plant	Not Available	Rubus chamaemorus	FooDB	Manually Annotated
Plant	Not Available	Rubus idaeus	FooDB	Manually Annotated
Plant	Not Available	Rubus occidentalis	FooDB	Manually Annotated
Plant	Not Available	Rubus spectabilis	FooDB	Manually Annotated
Plant	Not Available	Rubus ursinus x idaeus	FooDB	Manually Annotated
Plant	Not Available	Rubus x loganobaccus	FooDB	Manually Annotated
Plant	Not Available	Rumex	FooDB	Manually Annotated
Plant	Not Available	Rumex acetosa	FooDB	Manually Annotated
Plant	Not Available	Rumex articus	FooDB	Manually Annotated
Plant	Not Available	Sagittaria latifolia	FooDB	Manually Annotated
Plant	Not Available	Salix pulchra	FooDB	Manually Annotated
Plant	Not Available	Salvia elegans	FooDB	Manually Annotated
Plant	Not Available	Salvia hispanica	FooDB	Manually Annotated
Plant	Not Available	Salvia officinalis	FooDB	Manually Annotated
Plant	Not Available	Sambucus	FooDB	Manually Annotated
Plant	Not Available	Sambucus nigra	FooDB	Manually Annotated
Plant	Not Available	Satureja hortensis	FooDB	Manually Annotated
Plant	Not Available	Satureja montana	FooDB	Manually Annotated
Plant	Not Available	Scorzonera hispanica	FooDB	Manually Annotated
Plant	Not Available	Sechium edule	FooDB	Manually Annotated
Plant	Not Available	Sesamum orientale	FooDB	Manually Annotated
Plant	Not Available	Sesbania bispinosa	FooDB	Manually Annotated
Plant	Not Available	Sinapis alba	FooDB	Manually Annotated
Plant	Not Available	Sisymbrium	FooDB	Manually Annotated
Plant	Not Available	Solanum lycopersicum	FooDB	Manually Annotated
Plant	Not Available	Solanum lycopersicum var. cerasiforme	FooDB	Manually Annotated
Plant	Not Available	Solanum lycopersicum var. lycopersicum	FooDB	Manually Annotated
Plant	Not Available	Solanum melongena	FooDB	Manually Annotated
Plant	Not Available	Solanum quitoense	FooDB	Manually Annotated
Plant	Not Available	Solanum tuberosum	FooDB	Manually Annotated
Plant	Not Available	Sorbus aucuparia	FooDB	Manually Annotated
Plant	Not Available	Spinacia oleracea	FooDB	Manually Annotated
Plant	Not Available	Syzygium aromaticum	FooDB	Manually Annotated
Plant	Not Available	Syzygium cumini	FooDB	Manually Annotated
Plant	Not Available	Syzygium jambos	FooDB	Manually Annotated
Plant	Not Available	Tamarindus indica	FooDB	Manually Annotated
Plant	Not Available	Taraxacum officinale	FooDB	Manually Annotated
Plant	Not Available	Tetragonia tetragonioides	FooDB	Manually Annotated
Plant	Not Available	Thelesperma	FooDB	Manually Annotated
Plant	Not Available	Theobroma cacao	FooDB	Manually Annotated
Plant	Not Available	Theobroma grandiflorum	FooDB	Manually Annotated
Plant	Not Available	Thymus pulegioides	FooDB	Manually Annotated
Plant	Not Available	Thymus vulgaris	FooDB	Manually Annotated
Plant	Not Available	Tilia	FooDB	Manually Annotated
Plant	Not Available	Tilia cordata	FooDB	Manually Annotated
Plant	Not Available	Tilia tomentosa	FooDB	Manually Annotated
Plant	Not Available	Tragopogon porrifolius	FooDB	Manually Annotated
Plant	Not Available	Trigonella foenum-graecum	FooDB	Manually Annotated
Plant	Not Available	Typha angustifolia	FooDB	Manually Annotated
Plant	Not Available	Vaccinium	FooDB	Manually Annotated
Plant	Not Available	Vaccinium alaskaense	FooDB	Manually Annotated
Plant	Not Available	Vaccinium angustifolium	FooDB	Manually Annotated
Plant	Not Available	Vaccinium angustifolium x vaccinium corymbosum	FooDB	Manually Annotated
Plant	Not Available	Vaccinium arboreum	FooDB	Manually Annotated
Plant	Not Available	Vaccinium corymbosum	FooDB	Manually Annotated
Plant	Not Available	Vaccinium deliciosum	FooDB	Manually Annotated
Plant	Not Available	Vaccinium elliottii	FooDB	Manually Annotated
Plant	Not Available	Vaccinium macrocarpon	FooDB	Manually Annotated
Plant	Not Available	Vaccinium myrtilloides	FooDB	Manually Annotated
Plant	Not Available	Vaccinium myrtillus	FooDB	Manually Annotated
Plant	Not Available	Vaccinium ovatum	FooDB	Manually Annotated
Plant	Not Available	Vaccinium oxycoccos	FooDB	Manually Annotated
Plant	Not Available	Vaccinium parvifolium	FooDB	Manually Annotated
Plant	Not Available	Vaccinium reticulatum	FooDB	Manually Annotated
Plant	Not Available	Vaccinium stamineum	FooDB	Manually Annotated
Plant	Not Available	Vaccinium uliginosum	FooDB	Manually Annotated
Plant	Not Available	Vaccinium vitis-idaea	FooDB	Manually Annotated
Plant	Not Available	Valerianella locusta	FooDB	Manually Annotated
Plant	Not Available	Vanilla	FooDB	Manually Annotated
Plant	Not Available	Verbena officinalis	FooDB	Manually Annotated
Plant	Not Available	Viburnum edule	FooDB	Manually Annotated
Plant	Not Available	Vicia faba	FooDB	Manually Annotated
Plant	Not Available	Vigna aconitifolia	FooDB	Manually Annotated
Plant	Not Available	Vigna angularis	FooDB	Manually Annotated
Plant	Not Available	Vigna mungo	FooDB	Manually Annotated
Plant	Not Available	Vigna radiata	FooDB	Manually Annotated
Plant	Not Available	Vigna umbellata	FooDB	Manually Annotated
Plant	Not Available	Vigna unguiculata	FooDB	Manually Annotated
Plant	Not Available	Vigna unguiculata ssp. cylindrica	FooDB	Manually Annotated
Plant	Not Available	Vigna unguiculata ssp. sesquipedalis	FooDB	Manually Annotated
Plant	Not Available	Vigna unguiculata ssp. unguiculata	FooDB	Manually Annotated
Plant	Not Available	Virola surinamensis	FooDB	Manually Annotated
Plant	Not Available	Vitellaria paradoxa	FooDB	Manually Annotated
Plant	Not Available	Vitis	FooDB	Manually Annotated
Plant	Not Available	Vitis aestivalis	FooDB	Manually Annotated
Plant	Not Available	Vitis labrusca	FooDB	Manually Annotated
Plant	Not Available	Vitis rotundifolia	FooDB	Manually Annotated
Plant	Not Available	Vitis vinifera	FooDB	Manually Annotated
Plant	Not Available	Wasabia japonica	FooDB	Manually Annotated
Plant	Not Available	Xanthosoma sagittifolium	FooDB	Manually Annotated
Plant	Not Available	Zingiber officinale	FooDB	Manually Annotated
Plant	Not Available	Ziziphus zizyphus	FooDB	Manually Annotated

Host Biospecimen and Location

External Links

References

General References

Birkmayer GJ, Birkmayer W: Stimulation of endogenous L-dopa biosynthesis--a new principle for the therapy of Parkinson's disease. The clinical effect of nicotinamide adenine dinucleotide (NADH) and nicotinamide adenine dinucleotidephosphate (NADPH). Acta Neurol Scand Suppl. 1989;126:183-7. doi: 10.1111/j.1600-0404.1989.tb01800.x. [PubMed:2618590 ]
Afanas'ev IB, Suslova TB, Cheremisina ZP, Abramova NE, Korkina LG: Study of antioxidant properties of metal aspartates. Analyst. 1995 Mar;120(3):859-62. doi: 10.1039/an9952000859. [PubMed:7741242 ]
Shindo Y, Witt E, Han D, Epstein W, Packer L: Enzymic and non-enzymic antioxidants in epidermis and dermis of human skin. J Invest Dermatol. 1994 Jan;102(1):122-4. doi: 10.1111/1523-1747.ep12371744. [PubMed:8288904 ]
Lee AJ, Zhu BT: NADPH-dependent formation of polar and nonpolar estrogen metabolites following incubations of 17 beta-estradiol with human liver microsomes. Drug Metab Dispos. 2004 Aug;32(8):876-83. doi: 10.1124/dmd.32.8.876. [PubMed:15258114 ]
Karanam BV, Hop CE, Liu DQ, Wallace M, Dean D, Satoh H, Komuro M, Awano K, Vincent SH: In vitro metabolism of MK-0767 [(+/-)-5-[(2,4-dioxothiazolidin-5-yl)methyl]-2-methoxy-N-[[(4-trifluoromethyl) phenyl]methyl]benzamide], a peroxisome proliferator-activated receptor alpha/gamma agonist. I. Role of cytochrome P450, methyltransferases, flavin monooxygenases, and esterases. Drug Metab Dispos. 2004 Sep;32(9):1015-22. doi: 10.1124/dmd.104.000034. [PubMed:15319344 ]
Conley AJ, Pattison JC, Bird IM: Variations in adrenal androgen production among (nonhuman) primates. Semin Reprod Med. 2004 Nov;22(4):311-26. doi: 10.1055/s-2004-861548. [PubMed:15635499 ]
Iwata H, Tezuka Y, Kadota S, Hiratsuka A, Watabe T: Mechanism-based inactivation of human liver microsomal CYP3A4 by rutaecarpine and limonin from Evodia fruit extract. Drug Metab Pharmacokinet. 2005 Feb;20(1):34-45. doi: 10.2133/dmpk.20.34. [PubMed:15770073 ]
Nakayama Y, Kinoshita A, Tomita M: Dynamic simulation of red blood cell metabolism and its application to the analysis of a pathological condition. Theor Biol Med Model. 2005 May 9;2:18. doi: 10.1186/1742-4682-2-18. [PubMed:15882454 ]
Lin CC, Wong BK, Burgey CS, Gibson CR, Singh R: In vitro metabolism of a thrombin inhibitor and quantitation of metabolically generated cyanide. J Pharm Biomed Anal. 2005 Oct 4;39(5):1014-20. doi: 10.1016/j.jpba.2005.05.028. Epub 2005 Jul 14. [PubMed:16023819 ]
Kochansky CJ, Xia YQ, Wang S, Cato B, Creighton M, Vincent SH, Franklin RB, Reed JR: Species differences in the elimination of a peroxisome proliferator-activated receptor agonist highlighted by oxidative metabolism of its acyl glucuronide. Drug Metab Dispos. 2005 Dec;33(12):1894-904. doi: 10.1124/dmd.105.004010. Epub 2005 Sep 23. [PubMed:16183782 ]
Soglia JR, Contillo LG, Kalgutkar AS, Zhao S, Hop CE, Boyd JG, Cole MJ: A semiquantitative method for the determination of reactive metabolite conjugate levels in vitro utilizing liquid chromatography-tandem mass spectrometry and novel quaternary ammonium glutathione analogues. Chem Res Toxicol. 2006 Mar;19(3):480-90. doi: 10.1021/tx050303c. [PubMed:16544956 ]

Showing metabocard for NADPH (MMDBc0029795)

MOL for #<Metabolite:0x00007fd5b4027100>

3D MOL for #<Metabolite:0x00007fd5b4027100>

3D SDF for #<Metabolite:0x00007fd5b4027100>

3D-SDF for #<Metabolite:0x00007fd5b4027100>

PDB for #<Metabolite:0x00007fd5b4027100>

3D PDB for #<Metabolite:0x00007fd5b4027100>

SMILES for #<Metabolite:0x00007fd5b4027100>

INCHI for #<Metabolite:0x00007fd5b4027100>

Structure for #<Metabolite:0x00007fd5b4027100>

3D Structure for #<Metabolite:0x00007fd5b4027100>