KEGG   COMPOUND: C05381Help
Entry
C05381                      Compound                               

Name
3-Carboxy-1-hydroxypropyl-ThPP
Formula
C16H25N4O10P2S
Exact mass
527.0767
Mol weight
527.403
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Citrate cycle (TCA cycle)
Enzyme
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        33
            1   N5y N    38.6053  -11.0408 #+
            2   C8y C    39.2459   -9.8004
            3   C8y C    39.5894  -12.0310
            4   C1b C    37.3938  -10.3478
            5   S2x S    40.6203  -10.0274
            6   C1c C    38.6168   -8.5540
            7   C8y C    40.8300  -11.4019
            8   C1a C    39.4320  -13.4112
            9   C8y C    36.1882  -11.0468
            10  C1b C    37.2309   -8.4726
            11  O1a O    39.3856   -7.3893
            12  C1b C    42.0705  -12.0426
            13  C8y C    36.1882  -12.4502
            14  C8x C    34.9652  -10.3536
            15  C1b C    43.2411  -11.2855
            16  N5x N    34.9652  -13.1667
            17  N1a N    37.3938  -13.1491
            18  N5x N    33.7655  -11.0468
            19  O2b O    44.4816  -11.9261
            20  C8y C    33.7655  -12.4502
            21  P1b P    45.6523  -11.1690
            22  C1a C    32.5599  -13.1491
            23  O2c O    46.8926  -11.8096
            24  O1c O    46.0074  -12.6366
            25  P1b P    48.0634  -11.0524
            26  O1c O    49.2980  -11.6874
            27  O1c O    48.4186  -12.5201
            28  O1c O    45.6523   -9.7733
            29  O1c O    48.0634   -9.6568
            30  C1b C    36.6019   -7.2187
            31  C6a C    35.1969   -7.1360
            32  O6a O    34.4291   -8.3020
            33  O6a O    34.5736   -5.8930
BOND        34
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     6  10 1
            10    6  11 1
            11    7  12 1
            12    9  13 2
            13    9  14 1
            14   12  15 1
            15   13  16 1
            16   13  17 1
            17   14  18 2
            18   15  19 1
            19   16  20 2
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   21  24 1
            24   23  25 1
            25   25  26 1
            26   25  27 1
            27    5   7 1
            28   18  20 1
            29   21  28 2
            30   25  29 2
            31   10  30 1
            32   30  31 1
            33   31  32 2
            34   31  33 1

» Japanese version

DBGET integrated database retrieval system