KEGG   COMPOUND: C03691Help
Entry
C03691                      Compound                               

Name
CMP-N-glycoloylneuraminate;
CMP-N-glycolylneuraminate;
CMP-NeuNGc
Formula
C20H31N4O17P
Exact mass
630.1422
Mol weight
630.4505
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Amino sugar and nucleotide sugar metabolism
Biosynthesis of secondary metabolites
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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