Entry
Name
Chlorobiphenyl-chloroeremomycin;
LY333328;
Oritavancin
Formula
C86H97Cl3N10O26
Exact mass
1790.5641
Mol weight
1793.1008
Structure
Mol file KCF file DB search
Remark
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
J ANTIINFECTIVES FOR SYSTEMIC USE
J01 ANTIBACTERIALS FOR SYSTEMIC USE
J01X OTHER ANTIBACTERIALS
J01XA Glycopeptide antibacterials
J01XA05 Oritavancin
C12034 Chlorobiphenyl-chloroeremomycin
Drug groups [BR:br08330 ]
Antibacterial
DG01580 Glycopeptide antibiotic
DG00632 Oritavancin
C12034 Chlorobiphenyl-chloroeremomycin
BRITE hierarchy
Other DBs
LinkDB
All DBs
KCF data
Show ATOM 125
1 C8y C 26.3287 -25.5665
2 C8y C 25.1443 -26.2405
3 C8y C 27.5055 -26.2471
4 O2a O 26.3296 -24.2043
5 C8x C 25.1436 -27.6104
6 O2x O 23.9752 -25.5599
7 C8x C 27.5048 -27.6093
8 O2x O 28.6974 -25.5882
9 C1y C 27.4528 -22.4099
10 C8y C 26.3276 -28.2984
11 C8y C 22.7831 -26.2339
12 C8y C 29.8816 -26.2688
13 C1y C 27.4609 -21.0403
14 O2x O 28.6366 -23.0980
15 C1y C 26.3573 -29.6834
16 C8y C 22.7750 -27.5961
17 C8x C 21.6065 -25.5533
18 C8y C 31.0661 -25.6025
19 C8x C 29.8810 -27.6387
20 O2a O 25.8970 -19.3355
21 C1y C 28.6381 -20.3509
22 C1y C 29.8290 -22.4089
23 C5x C 25.1801 -30.3651
24 N1x N 27.5259 -30.3717
25 C8x C 21.5903 -28.2777
26 X Cl 23.9590 -28.2995
27 C8x C 20.4295 -26.2198
28 C8x C 32.2428 -26.2756
29 X Cl 31.0819 -24.2403
30 C8x C 31.0648 -28.3269
31 C1y C 27.5590 -17.3173
32 C1y C 29.8298 -21.0315
33 O1a O 28.6537 -18.9964
34 C1b C 31.0130 -23.1122
35 N1x N 23.9961 -29.6694
36 O5x O 25.1794 -31.7273
37 C5x C 28.7108 -29.6902
38 C8y C 20.4214 -27.5820
39 C8y C 32.2420 -27.6378
40 C1x C 27.5672 -15.9476
41 O2x O 28.7354 -17.9979
42 O1a O 31.0220 -20.3729
43 O1a O 32.3752 -23.1280
44 C1y C 22.8188 -30.3510
45 C1y C 29.8871 -30.3782
46 O5x O 28.7264 -28.3280
47 C1y C 19.2442 -28.2712
48 C1y C 33.4260 -28.3410
49 C1z C 28.7518 -15.2811
50 C1y C 29.9200 -17.3316
51 C8y C 22.8033 -31.7130
52 C5x C 21.6425 -29.6630
53 N1x N 31.0718 -29.6966
54 C1b C 28.7027 -31.0597
55 C1y C 19.2438 -29.6408
56 O2a O 18.0679 -27.5755
57 C1y C 33.4253 -29.7032
58 O1a O 34.6183 -27.6672
59 C1y C 29.9282 -15.9619
60 C1a C 27.8040 -14.3144
61 N1b N 29.7337 -14.3258
62 C1a C 31.1040 -18.0121
63 C8x C 21.6186 -32.3872
64 C8x C 23.9873 -32.4015
65 N1x N 20.4579 -30.3444
66 O5x O 20.6567 -28.7562
67 C5x C 32.2406 -30.3848
68 C5a C 28.7018 -32.4221
69 C5x C 18.0589 -30.3225
70 N1b N 34.6093 -30.3914
71 O1a O 31.1203 -15.2954
72 C8y C 21.6103 -33.7569
73 C8x C 23.9789 -33.7637
74 O5x O 32.2402 -31.7470
75 N1a N 29.8860 -33.1103
76 O5a O 27.5173 -33.1035
77 N1x N 18.0585 -31.6847
78 O5x O 16.8826 -29.6266
79 C5a C 35.7942 -29.7249
80 C8y C 20.4184 -34.4157
81 C8y C 22.7945 -34.4451
82 C1y C 19.2425 -32.3729
83 C1c C 36.9705 -30.4131
84 O5a O 35.8098 -28.3629
85 C8y C 19.2418 -33.7352
86 C8y C 20.4177 -35.7856
87 O1a O 22.7938 -35.8148
88 C6a C 16.9491 -33.6684
89 C1b C 36.9699 -31.7753
90 N1b N 38.1627 -29.7468
91 C8x C 18.0571 -34.4168
92 C8x C 19.2405 -36.4670
93 O1a O 21.6017 -36.4813
94 O6a O 15.5871 -33.6601
95 O6a O 16.9484 -35.0306
96 C1c C 35.7929 -32.4570
97 C1a C 39.3469 -30.4349
98 C8y C 18.0565 -35.7865
99 C1a C 34.1357 -32.4168
100 C1a C 35.7922 -33.8192
101 O1a O 16.8795 -36.4756
102 C1y C 18.0598 -26.1972
103 O2x O 19.2491 -25.5011
104 C1y C 19.2409 -24.1231
105 C1y C 18.0433 -23.4410
106 C1z C 16.8538 -24.1371
107 C1x C 16.8622 -25.5154
108 C1a C 20.4302 -23.4269
109 O1a O 18.0352 -22.0630
110 C1a C 15.6419 -24.8157
111 N1a N 15.8774 -23.1524
112 C1b C 30.0875 -12.9991
113 C8y C 31.4589 -13.0061
114 C8x C 32.1386 -14.1976
115 C8x C 32.1511 -11.8219
116 C8x C 33.5228 -11.8289
117 C8y C 34.2022 -13.0204
118 C8y C 35.5739 -13.0277
119 C8x C 33.5102 -14.2049
120 C8x C 36.2535 -14.2191
121 C8x C 36.2658 -11.8434
122 C8x C 37.6375 -11.8505
123 C8y C 38.3172 -13.0419
124 C8x C 37.6252 -14.2261
125 X Cl 39.6888 -13.0492
BOND 137
1 16 25 2
2 16 26 1
3 17 27 1
4 18 28 2
5 18 29 1
6 19 30 1
7 31 20 1 #Up
8 21 32 1
9 21 33 1 #Up
10 22 34 1 #Up
11 23 35 1
12 23 36 2
13 24 37 1
14 25 38 1
15 28 39 1
16 31 40 1
17 31 41 1
18 32 42 1 #Down
19 34 43 1
20 44 35 1 #Down
21 37 45 1
22 37 46 2
23 38 47 1
24 39 48 1
25 40 49 1
26 41 50 1
27 44 51 1
28 44 52 1
29 45 53 1
30 45 54 1 #Up
31 47 55 1
32 47 56 1 #Down
33 48 57 1
34 48 58 1 #Up
35 49 59 1
36 49 60 1 #Up
37 49 61 1 #Down
38 50 62 1 #Down
39 51 63 1
40 51 64 2
41 52 65 1
42 52 66 2
43 53 67 1
44 54 68 1
45 55 69 1
46 57 70 1 #Up
47 59 71 1 #Up
48 63 72 2
49 64 73 1
50 67 74 2
51 68 75 1
52 68 76 2
53 69 77 1
54 69 78 2
55 70 79 1
56 72 80 1
57 72 81 1
58 77 82 1
59 79 83 1
60 79 84 2
61 80 85 2
62 80 86 1
63 81 87 1
64 82 88 1 #Down
65 83 89 1
66 83 90 1 #Down
67 85 91 1
68 86 92 2
69 86 93 1
70 88 94 1
71 88 95 2
72 89 96 1
73 90 97 1
74 91 98 2
75 96 99 1
76 96 100 1
77 98 101 1
78 7 10 2
79 22 32 1
80 27 38 2
81 30 39 2
82 50 59 1
83 55 65 1 #Down
84 57 67 1
85 73 81 2
86 82 85 1
87 92 98 1
88 102 56 1 #Up
89 1 2 1
90 1 3 2
91 1 4 1
92 2 5 2
93 2 6 1
94 102 103 1
95 103 104 1
96 104 105 1
97 105 106 1
98 106 107 1
99 107 102 1
100 3 7 1
101 104 108 1 #Down
102 3 8 1
103 105 109 1 #Up
104 9 4 1 #Up
105 106 110 1 #Up
106 5 10 1
107 106 111 1 #Down
108 6 11 1
109 61 112 1
110 8 12 1
111 112 113 1
112 9 13 1
113 113 114 2
114 9 14 1
115 113 115 1
116 10 15 1
117 115 116 2
118 114 119 1
119 11 16 1
120 116 117 1
121 11 17 2
122 117 118 1
123 12 18 1
124 117 119 2
125 12 19 2
126 118 120 2
127 13 20 1 #Down
128 118 121 1
129 13 21 1
130 121 122 2
131 14 22 1
132 122 123 1
133 15 23 1
134 123 124 2
135 120 124 1
136 15 24 1 #Up
137 123 125 1