KEGG   COMPOUND: C04856
Entry
C04856                      Compound                               
Name
(6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide;
(S)-NADH-hydrate;
(S)-NADHX;
(6S)-6-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide;
6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
Formula
C21H31N7O15P2
Exact mass
683.1353
Mol weight
683.4563
Structure
Reaction
Enzyme
4.2.1.93        4.2.1.136       5.1.99.6
Other DBs
PubChem: 7411
ChEBI: 15644 44236
PDB-CCD: NAX[PDBj]
NIKKAJI: J2.756.245K
KCF data

ATOM        45
            1   N4y N    35.8593  -20.9570
            2   C8y C    34.5321  -20.4892
            3   C1y C    35.5378  -23.1498
            4   C8x C    36.7248  -19.8402
            5   C8y C    34.5672  -19.0800
            6   N5x N    33.2983  -21.1734
            7   O2x O    34.4736  -22.3838
            8   C1y C    35.1459  -24.3544
            9   N5x N    35.9238  -18.6707
            10  C8y C    33.3568  -18.3492
            11  C8x C    32.0878  -20.4425
            12  C1y C    33.4327  -23.1264
            13  C1y C    33.8479  -24.3544
            14  O1a O    35.6489  -25.3893
            15  N5x N    32.1170  -19.0215
            16  N1a N    33.3859  -16.9341
            17  C1b C    32.2223  -22.7521
            18  O1a O    33.1111  -25.4011
            19  O2b O    31.1932  -22.7053
            20  P1b P    29.8015  -22.6996
            21  O2c O    28.0649  -22.7053
            22  O1c O    29.8015  -24.1966
            23  O1c O    29.8074  -21.2611
            24  P1b P    26.4568  -22.6996
            25  O2b O    25.0768  -22.7053
            26  O1c O    26.4685  -24.1381
            27  O1c O    26.4568  -21.2611
            28  C1b C    23.5858  -22.6762
            29  C1y C    22.7730  -23.3194
            30  O2x O    21.7028  -22.6119
            31  C1y C    22.4338  -24.6351
            32  C1y C    20.6737  -23.4187
            33  C1y C    21.1007  -24.6585
            34  O1a O    23.2290  -25.7460
            35  N1y N    20.0188  -21.7406
            36  O1a O    20.3696  -25.7460
            37  C2x C    21.2409  -21.0330
            38  C1y C    18.7909  -21.0330
            39  C2y C    21.2409  -19.6181
            40  C1x C    18.7909  -19.6181
            41  O1a O    17.5747  -21.7406
            42  C1x C    20.0188  -18.9164
            43  C5a C    22.4630  -18.9164
            44  N1a N    22.4630  -17.5013
            45  O5a O    23.6851  -19.6238
BOND        49
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 2
            15   10  16 1
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   29  28 1 #Down
            29   29  30 1
            30   29  31 1
            31   30  32 1
            32   31  33 1
            33   31  34 1 #Up
            34   32  35 1 #Down
            35   33  36 1 #Up
            36   35  37 1
            37   35  38 1
            38   37  39 2
            39   38  40 1
            40   38  41 1 #Up
            41   39  42 1
            42   39  43 1
            43   43  44 1
            44   43  45 2
            45    5   9 1
            46   11  15 1
            47   12  13 1
            48   32  33 1
            49   40  42 1

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