KEGG   COMPOUND: C03691Help
Entry
C03691                      Compound                               

Name
CMP-N-glycoloylneuraminate;
CMP-N-glycolylneuraminate;
CMP-Neu5Gc
Formula
C20H31N4O17P
Exact mass
630.1422
Mol weight
630.4505
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Amino sugar and nucleotide sugar metabolism
Enzyme
1.14.18.2       2.7.7.43
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        42
            1   C1z C    15.6017  -14.7193
            2   O2x O    14.4467  -14.0505
            3   C1x C    15.6017  -16.0483
            4   O2b O    17.7212  -16.3121
            5   C6a C    16.7432  -14.0505
            6   C1y C    13.2935  -14.7193
            7   C1y C    14.4467  -16.7344
            8   P1b P    19.0574  -16.3121
            9   O6a O    16.7372  -12.7274
            10  O6a O    17.8852  -14.7193
            11  C1y C    13.2935  -16.0483
            12  O1a O    14.4526  -18.0519
            13  O2b O    20.3749  -16.3121
            14  O1c O    19.0574  -17.6367
            15  O1c O    19.0574  -14.9820
            16  C1b C    21.7053  -16.3121
            17  C1y C    22.9645  -16.7053
            18  O2x O    24.0367  -15.9250
            19  C1y C    23.3866  -17.9647
            20  C1y C    25.1261  -16.7227
            21  C1y C    24.7344  -17.9647
            22  O1a O    22.6250  -18.9726
            23  N4y N    25.9704  -14.5017
            24  O1a O    25.5133  -18.9609
            25  C8y C    24.8098  -13.8285
            26  C8x C    27.1298  -13.8518
            27  N5x N    24.7458  -12.4983
            28  O5x O    23.6680  -14.4841
            29  C8x C    27.1298  -12.5041
            30  C8y C    25.9762  -11.8307
            31  N1a N    25.9762  -10.5062
            32  C1c C    12.0815  -13.9986
            33  C1c C    12.0864  -12.6066
            34  C1b C    10.8834  -11.9066
            35  O1a O    10.8182  -10.5146
            36  N1b N    12.0785  -16.7392
            37  O1a O    13.2846  -11.9149
            38  O1a O    10.8661  -14.6871
            39  C5a C    12.0782  -18.1322
            40  O5a O    13.2846  -18.8282
            41  C1b C    10.8728  -18.8282
            42  O1a O     9.6383  -18.1155
BOND        44
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1 #Down
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 1 #Down
            12    8  13 1
            13    8  14 1
            14    8  15 2
            15   13  16 1
            16   17  16 1 #Up
            17   17  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   19  22 1 #Down
            22   20  23 1 #Up
            23   21  24 1 #Down
            24   23  25 1
            25   23  26 1
            26   25  27 1
            27   25  28 2
            28   26  29 2
            29   27  30 2
            30   30  31 1
            31    7  11 1
            32   20  21 1
            33   29  30 1
            34    6  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   11  36 1 #Up
            39   33  37 1 #Up
            40   32  38 1 #Down
            41   36  39 1
            42   39  40 2
            43   39  41 1
            44   41  42 1

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