KEGG   COMPOUND: C21594
Entry
C21594                      Compound                               

Name
Clindamycin palmitate
Formula
C34H63ClN2O6S
Exact mass
662.4095
Mol weight
663.3918
Structure
Brite
Glycosides [BR:br08021]
 S-glycosides
  C21594  Clindamycin palmitate
Other DBs
CAS: 36688-78-5
PubChem: 340125653
ChEMBL: CHEMBL1201289
LinkDB
KCF data

ATOM        44
            1   C1y C    10.6416  -15.4011
            2   C1y C    10.6416  -16.8012
            3   C1y C    11.8541  -17.5012
            4   C1y C    13.0667  -16.8012
            5   C1y C    13.0667  -15.4011
            6   O2x O    11.8541  -14.7011
            7   S2a S    14.2805  -14.7003
            8   C1a C    14.2805  -13.3009
            9   O7a O    14.2825  -17.5023
            10  C7a C    15.4952  -16.8023
            11  C1b C    16.7079  -17.5023
            12  C1b C    17.9205  -16.8023
            13  C1b C    19.1331  -17.5023
            14  C1b C    20.3458  -16.8023
            15  C1b C    21.5584  -17.5023
            16  C1b C    22.7710  -16.8023
            17  C1b C    23.9836  -17.5023
            18  C1b C    25.1962  -16.8023
            19  C1b C    26.4088  -17.5023
            20  C1b C    27.6214  -16.8023
            21  C1b C    28.8340  -17.5023
            22  C1b C    30.0466  -16.8023
            23  C1b C    31.2593  -17.5023
            24  C1b C    32.4718  -16.8023
            25  C1a C    33.6846  -17.5023
            26  O1a O    11.8541  -18.9026
            27  O1a O     9.4295  -17.5009
            28  C1c C     9.4304  -14.7018
            29  N1b N     8.2170  -15.4023
            30  C1c C     9.4304  -13.3017
            31  X   Cl    8.2171  -12.6012
            32  C1a C    10.6423  -12.6020
            33  C5a C     7.0033  -14.7020
            34  C1y C     5.7906  -15.4020
            35  O5a O     7.0031  -13.3017
            36  N1y N     4.5099  -14.8319
            37  C1x C     3.5720  -15.8736
            38  C1y C     4.2728  -17.0877
            39  C1x C     5.6441  -16.7962
            40  C1a C     4.2218  -13.4758
            41  C1b C     3.7093  -18.3540
            42  C1b C     2.2975  -18.5028
            43  C1a C     1.7342  -19.7685
            44  O6a O    15.4952  -15.3995
BOND        45
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 1 #Down
            8     7   8 1
            9     4   9 1 #Down
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26    3  26 1 #Up
            27    2  27 1 #Up
            28    1  28 1
            29   28  29 1
            30   28  30 1
            31   30  31 1 #Up
            32   30  32 1
            33   29  33 1
            34   34  33 1 #Down
            35   33  35 2
            36   34  36 1
            37   36  37 1
            38   37  38 1
            39   38  39 1
            40   34  39 1
            41   36  40 1
            42   38  41 1 #Up
            43   41  42 1
            44   42  43 1
            45   10  44 2

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