 | | COMPOUND: C06689 | |
| Entry |
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| Name |
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| Formula |
C66H75Cl2N9O24
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| Exact mass |
1447.4302
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| Mol weight |
1449.2536
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| Structure |
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| Remark |
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| Reaction |
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| Pathway |
| map01055 | Biosynthesis of vancomycin group antibiotics |
| map01110 | Biosynthesis of secondary metabolites |
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| Enzyme |
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| Brite |
Compounds with biological roles [BR:br08001]
Antibiotics
Polyketides and nonribosomal peptides
Non-ribosomal peptides
C06689 Vancomycin
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C06689
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
A07A INTESTINAL ANTIINFECTIVES
A07AA Antibiotics
A07AA09 Vancomycin
D00212 Vancomycin (USP) <US>
J ANTIINFECTIVES FOR SYSTEMIC USE
J01 ANTIBACTERIALS FOR SYSTEMIC USE
J01X OTHER ANTIBACTERIALS
J01XA Glycopeptide antibacterials
J01XA01 Vancomycin
D00212 Vancomycin (USP) <US>
S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01A ANTIINFECTIVES
S01AA Antibiotics
S01AA28 Vancomycin
D00212 Vancomycin (USP) <US>
Drug groups [BR:br08330]
Antibacterial
DG01580 Glycopeptide antibiotic
DG00086 Vancomycin
D00212 Vancomycin
Drug classes [BR:br08332]
Antibacterial
DG01580 Glycopeptide antibiotic
D00212 Vancomycin
Antimicrobials [BR:br08307]
Antibacterials
Cell wall biosynthesis inhibitor, other
Glycopeptide
D00212 Vancomycin (USP) <US>
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| Other DBs |
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| KCF data |
ATOM 101
1 C1y C 22.1392 -23.0070
2 C1x C 22.0785 -21.6649
3 O2x O 23.2913 -23.6751
4 C1z C 23.3097 -21.0130
5 C1y C 24.4527 -23.0231
6 C1y C 24.4619 -21.6810
7 C1a C 22.3819 -19.9269
8 N1a N 24.2727 -19.9400
9 C1a C 25.6122 -23.6912
10 O1a O 25.6306 -21.0292
11 C8y C 19.9165 -18.7351
12 C8y C 21.0732 -18.0677
13 C8y C 18.7595 -18.0750
14 O2a O 19.9248 -20.0700
15 C8x C 21.0659 -16.7256
16 O2x O 22.2226 -18.7278
17 C8x C 18.7522 -16.7404
18 O2x O 17.5954 -18.7278
19 C1y C 18.7648 -21.8348
20 C8y C 19.9016 -16.0583
21 C8y C 23.3869 -18.0603
22 C8y C 16.4311 -18.0677
23 C1y C 18.7648 -23.1769
24 O2x O 17.6007 -21.1675
25 C1y C 19.8644 -13.9434
26 C8y C 23.3869 -16.7256
27 C8x C 24.5436 -18.7203
28 C8y C 15.2745 -18.7278
29 C8x C 16.4237 -16.7256
30 C1y C 17.6154 -23.8592
31 C1y C 16.4364 -21.8497
32 C5x C 21.0138 -13.2686
33 N1x N 18.7152 -13.2759
34 C8x C 24.5436 -16.0507
35 X Cl 22.2226 -16.0434
36 C8x C 25.6930 -18.0603
37 C8x C 14.1174 -18.0750
38 X Cl 15.2669 -20.0627
39 C8x C 15.2596 -16.0583
40 C1y C 16.4436 -23.1993
41 O1a O 17.6080 -25.1866
42 N1x N 22.1781 -13.9434
43 O5x O 21.0065 -11.9338
44 C5x C 17.5581 -13.9507
45 C8y C 25.6930 -16.7256
46 C8y C 14.1102 -16.7404
47 O1a O 15.2795 -23.8517
48 C1y C 23.3975 -13.2686
49 C1y C 16.4016 -13.2835
50 O5x O 17.5509 -15.2856
51 C1y C 26.8424 -16.0434
52 C1y C 12.9459 -16.0583
53 C8y C 23.4049 -11.9338
54 C5x C 24.4843 -13.9358
55 N1x N 15.2447 -13.9583
56 C1y C 26.8349 -13.9434
57 O1a O 27.9992 -16.7183
58 C1y C 12.9385 -13.9656
59 O1a O 11.7816 -16.7256
60 C8x C 24.4918 -11.2663
61 C8x C 22.1708 -11.2663
62 N1x N 25.6409 -13.2611
63 C5x C 14.0954 -13.2908
64 C5x C 27.9919 -13.2686
65 N1b N 11.7742 -13.2983
66 C8y C 24.4918 -9.9241
67 C8x C 22.1708 -9.9314
68 O5x O 14.0878 -11.9560
69 N1x N 27.9844 -11.9338
70 O5x O 29.1487 -13.9434
71 C5a C 10.6174 -13.9583
72 C8y C 25.6558 -9.2714
73 C8y C 23.3275 -9.2565
74 C1y C 26.8200 -11.2663
75 C1c C 9.4605 -13.2908
76 O5a O 10.6100 -15.2929
77 C8y C 26.8128 -9.9314
78 C8y C 25.7185 -7.9293
79 C6a C 29.0597 -9.9835
80 C1b C 9.4532 -11.9560
81 N1b N 8.2964 -13.9507
82 C8x C 27.9695 -9.2565
83 C8x C 26.7980 -7.2544
84 O1a O 24.4843 -7.2544
85 C8y C 28.0322 -7.9145
86 O1a O 29.1115 -7.2324
87 O5x O 24.4877 -15.3022
88 O1a O 23.3222 -7.8619
89 O6a O 30.2497 -10.6760
90 O6a O 29.0642 -8.6198
91 C1a C 8.2935 -15.3021
92 C1c C 8.2680 -11.2812
93 C1a C 7.0509 -11.9936
94 C1a C 8.2594 -9.9287
95 C1b C 16.3979 -11.1000
96 C5a C 17.5716 -10.4179
97 N1a N 18.7441 -11.0905
98 O5a O 17.5679 -9.0333
99 C1b C 15.2433 -21.1701
100 O1a O 14.0810 -21.8505
101 O2a O 20.3820 -23.8623
BOND 110
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 4 7 1 #Up
7 4 8 1 #Down
8 5 9 1 #Down
9 6 10 1 #Down
10 5 6 1
11 11 12 1
12 11 13 2
13 11 14 1
14 12 15 2
15 12 16 1
16 13 17 1
17 13 18 1
18 19 14 1 #Up
19 15 20 1
20 16 21 1
21 18 22 1
22 19 23 1
23 19 24 1
24 20 25 1
25 21 26 1
26 21 27 2
27 22 28 1
28 22 29 2
29 23 30 1
30 24 31 1
31 25 32 1
32 25 33 1 #Up
33 26 34 2
34 26 35 1
35 27 36 1
36 28 37 2
37 28 38 1
38 29 39 1
39 30 40 1
40 30 41 1 #Up
41 32 42 1
42 32 43 2
43 33 44 1
44 34 45 1
45 37 46 1
46 40 47 1 #Down
47 42 48 1
48 44 49 1
49 44 50 2
50 45 51 1
51 46 52 1
52 48 53 1
53 48 54 1 #Down
54 49 55 1
55 51 56 1
56 51 57 1 #Down
57 52 58 1
58 52 59 1 #Up
59 53 60 1
60 53 61 2
61 54 62 1
62 55 63 1
63 56 64 1
64 58 65 1 #Up
65 60 66 2
66 61 67 1
67 63 68 2
68 64 69 1
69 64 70 2
70 65 71 1
71 66 72 1
72 66 73 1
73 69 74 1
74 71 75 1
75 71 76 2
76 72 77 2
77 72 78 1
78 74 79 1 #Down
79 75 80 1
80 75 81 1 #Down
81 77 82 1
82 78 83 2
83 78 84 1
84 82 85 2
85 85 86 1
86 17 20 2
87 31 40 1
88 36 45 2
89 39 46 2
90 56 62 1 #Down
91 58 63 1
92 67 73 2
93 74 77 1
94 83 85 1
95 54 87 2
96 73 88 1
97 79 89 1
98 79 90 2
99 81 91 1
100 80 92 1
101 92 93 1
102 92 94 1
103 49 95 1 #Up
104 95 96 1
105 96 97 1
106 96 98 2
107 31 99 1 #Up
108 99 100 1
109 23 101 1 #Down
110 1 101 1 #Up
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