KEGG   COMPOUND: C04428Help
Entry
C04428                      Compound                               

Name
alpha-D-Galactosyl-N-acetyllactosamine
Formula
C20H35NO16
Exact mass
545.1956
Mol weight
545.489
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
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KCF data Show

ATOM        37
            1   C1y C    15.0996  -15.9670
            2   O2x O    16.2917  -15.2795
            3   C1b C    13.9267  -15.2795
            4   C1y C    15.0996  -17.3354
            5   C1y C    17.4899  -15.9670
            6   O2a O    12.8734  -16.1687
            7   C1y C    16.2917  -18.0165
            8   O1a O    13.9267  -18.0165
            9   O2a O    19.0414  -15.0902
            10  C1y C    17.4899  -17.3354
            11  C1y C    11.6877  -16.8562
            12  O1a O    16.2979  -19.3915
            13  C1b C    20.0947  -14.2073
            14  O1a O    18.6756  -18.0165
            15  O2x O    10.4832  -16.1687
            16  C1y C    11.6877  -18.2436
            17  C1y C    21.2677  -14.8884
            18  C1y C     9.2975  -16.8562
            19  C1y C    10.4832  -18.9436
            20  O1a O    12.8034  -18.9947
            21  C1y C    21.2677  -16.2570
            22  O2x O    22.4533  -14.2073
            23  C1y C     9.2975  -18.2436
            24  C1b C     8.1055  -16.1687
            25  O1a O    10.4769  -20.3122
            26  C1y C    22.4533  -16.9444
            27  O1a O    20.0756  -16.9444
            28  C1y C    23.6516  -14.8884
            29  O1a O     8.1055  -18.9247
            30  O1a O     8.1055  -14.8001
            31  C1y C    23.6516  -16.2570
            32  O1a O    22.4659  -18.3194
            33  O1a O    24.8435  -14.2073
            34  N1b N    25.4743  -17.0896
            35  C5a C    26.6599  -16.4021
            36  C1a C    27.8456  -17.0896
            37  O5a O    26.6536  -15.0272
BOND        39
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1 #Up
            8     5   9 1 #Up
            9     5  10 1
            10   11   6 1 #Down
            11    7  12 1 #Up
            12    9  13 1
            13   10  14 1 #Down
            14   11  15 1
            15   11  16 1
            16   17  13 1 #Up
            17   15  18 1
            18   16  19 1
            19   16  20 1 #Down
            20   17  21 1
            21   17  22 1
            22   18  23 1
            23   18  24 1 #Up
            24   19  25 1 #Up
            25   21  26 1
            26   21  27 1 #Down
            27   22  28 1
            28   23  29 1 #Up
            29   24  30 1
            30   26  31 1
            31   26  32 1 #Up
            32   28  33 1 #Up
            33   31  34 1 #Down
            34   34  35 1
            35   35  36 1
            36   35  37 2
            37    7  10 1
            38   19  23 1
            39   28  31 1

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