KEGG   DRUG: D00851Help
Entry
D00851                      Drug                                   

Name
Erythromycin estorate (JAN);
Erythromycin estolate (USP);
Ilosone (TN)
Formula
C40H71NO14. C12H26O4S
Exact mass
1055.6426
Mol weight
1056.3875
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antibacterial
Remark
Same as: 
ATC code: 
Target
23S rRNA of 50S ribosomal subunit, protein synthesis inhibitor [KO:K01980]
  Pathway
ko03010  Ribosome  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A7 [HSA:1551]
Transporter: OAT2 [HSA:10864]
Interaction
CYP inhibition: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP3A7 [HSA:1551], CYP2C19 [HSA:1557]
Transporter inhibition: ABCB1 [HSA:5243]
Drug interaction
Structure map
Macrolides and ketolides
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01F MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
    J01FA Macrolides
     J01FA01 Erythromycin
      D00851  Erythromycin estorate (JAN); Erythromycin estolate (USP)
USP drug classification [BR:br08302]
 Antibacterials
  Macrolides
   Erythromycin
    D00851  Erythromycin estorate (JAN); Erythromycin estolate (USP)
Antiinfectives [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   23S rRNA of 50S ribosomal subunit inhibitor [KO:K01980]
    Macrolides
     Erythromycin [ATC:D10AF02 J01FA01 S01AA17]
      D00851  Erythromycin estorate (JAN); Erythromycin estolate (USP)
BRITE hierarchy
Other DBs
CAS: 
3521-62-8
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        72
            1   C1y C     8.6520  -15.8825
            2   C1z C     8.6520  -14.5689
            3   C1y C     7.5110  -16.5339
            4   O2a O    11.1010  -16.9101
            5   C1x C     7.5110  -13.9120
            6   O1a O     9.6429  -13.6171
            7   C1a C     9.8879  -14.9862
            8   C1y C     7.5110  -17.8476
            9   C1a C     6.5756  -15.5493
            10  C1y C    13.0541  -16.0150
            11  C1y C     7.5110  -12.5928
            12  O2a O     8.2235  -19.1557
            13  C1y C     6.3810  -18.5045
            14  C1y C    14.1798  -16.6811
            15  O2x O    13.0658  -14.7018
            16  C5x C     6.3810  -11.9414
            17  C1a C     8.6520  -11.9414
            18  C1y C     9.6844  -19.5584
            19  C7x C     5.2399  -17.8476
            20  C1a C     6.3810  -19.8180
            21  C1y C    15.3897  -16.0436
            22  O7a O    14.2385  -18.8086
            23  C1y C    14.2129  -14.0616
            24  C1y C     5.2399  -12.5928
            25  O5x O     6.3810  -10.6277
            26  C1x C     9.6844  -20.8666
            27  O2x O    10.8257  -18.9017
            28  O7x O     5.2399  -16.5339
            29  O6a O     4.2211  -18.7605
            30  C1x C    15.4060  -14.7352
            31  N1c N    16.4526  -16.7069
            32  C1a C    14.2319  -12.7505
            33  C1y C     5.2399  -13.9120
            34  C1a C     4.1044  -11.9414
            35  C1z C    10.8257  -21.5290
            36  C1y C    11.9555  -19.5584
            37  C1y C     4.1044  -15.8825
            38  C1z C     4.1044  -14.5689
            39  O1a O     6.3810  -14.5689
            40  C1y C    11.9555  -20.8666
            41  O2a O    10.8257  -22.8038
            42  C1a C    12.2172  -22.4754
            43  C1a C    13.0967  -18.9073
            44  C1b C     2.9687  -16.5339
            45  C1a C     2.9020  -15.1142
            46  O1a O     2.9020  -13.9065
            47  O1a O    13.0967  -21.5290
            48  C1a C    11.8832  -23.7278
            49  C1a C     3.0025  -17.6137
            50  C1a C    17.6537  -16.0252
            51  C7a C    15.3913  -19.4848
            52  O6a O    15.3913  -20.8340
            53  C1b C    16.5282  -18.8337
            54  C1a C    17.6754  -19.5017
            55  C1a C    16.4526  -18.0561
            56  C1b C    36.4700  -17.3600
            57  C1b C    35.2576  -18.0600
            58  C1b C    34.0621  -17.3696
            59  C1b C    32.8747  -18.0551
            60  C1b C    31.6835  -17.3671
            61  C1b C    30.4940  -18.0538
            62  C1b C    29.3039  -17.3665
            63  C1b C    28.1138  -18.0535
            64  C1b C    26.9240  -17.3663
            65  C1b C    25.7338  -18.0534
            66  C1b C    24.5440  -17.3662
            67  O2a O    23.3538  -18.0534
            68  C1a C    37.6824  -18.0600
            69  S4a S    21.9812  -18.0478
            70  O1d O    20.5800  -18.0709
            71  O1d O    21.9726  -16.6600
            72  O1d O    21.9900  -19.4600
BOND        73
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1 #Down
            9    10   4 1 #Down
            10    5  11 1
            11    8  12 1 #Down
            12    8  13 1
            13   10  14 1
            14   10  15 1
            15   11  16 1
            16   11  17 1 #Down
            17   18  12 1 #Down
            18   13  19 1
            19   13  20 1 #Up
            20   14  21 1
            21   14  22 1 #Up
            22   15  23 1
            23   16  24 1
            24   16  25 2
            25   18  26 1
            26   18  27 1
            27   19  28 1
            28   19  29 2
            29   21  30 1
            30   21  31 1 #Down
            31   23  32 1 #Down
            32   24  33 1
            33   24  34 1 #Up
            34   26  35 1
            35   27  36 1
            36   28  37 1
            37   33  38 1
            38   33  39 1 #Up
            39   35  40 1
            40   35  41 1 #Down
            41   35  42 1
            42   36  43 1 #Up
            43   37  44 1 #Down
            44   38  45 1 #Down
            45   38  46 1 #Up
            46   40  47 1 #Down
            47   41  48 1
            48   44  49 1
            49   23  30 1
            50   36  40 1
            51   37  38 1
            52   31  50 1
            53   22  51 1
            54   51  52 2
            55   51  53 1
            56   53  54 1
            57   31  55 1
            58   56  57 1
            59   57  58 1
            60   58  59 1
            61   59  60 1
            62   60  61 1
            63   61  62 1
            64   62  63 1
            65   63  64 1
            66   64  65 1
            67   65  66 1
            68   66  67 1
            69   56  68 1
            70   67  69 1
            71   69  70 1
            72   69  71 2
            73   69  72 2

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