COMPOUND: C11617
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Entry
C11617 Compound
Name
Pristinamycin IC;
Vernamycin B gamma;
2-D-Alanine-4-[4-(dimethylamino)-N-methyl-L-phenylalanine]virginiamycin S1
Formula
C44H52N8O10
Exact mass
852.3806
Mol weight
852.9313
Structure
Mol file
KCF file
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Other DBs
CAS:
28979-74-0
PubChem:
13782
ChEBI:
8419
NIKKAJI:
J34.325K
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KCF data
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ATOM 62
1 N1y N 23.7905 -19.9436
2 C1y C 23.8116 -21.3259
3 C5x C 24.9930 -19.2345
4 C1x C 22.6129 -19.2629
5 C5x C 25.0067 -21.9992
6 C1x C 22.6266 -22.0159
7 C1y C 24.9833 -17.8638
8 O5x O 26.3256 -19.5865
9 C1x C 21.4219 -19.9602
10 N1x N 26.1976 -21.3091
11 O5x O 25.0048 -23.3816
12 C5x C 21.4201 -21.3426
13 C1b C 23.7885 -17.1961
14 N1y N 25.6509 -16.6690
15 C1y C 27.3925 -21.9767
16 O5x O 20.2290 -22.0271
17 C8y C 23.7789 -15.8198
18 C5x C 27.0274 -16.6594
19 C1a C 25.6355 -15.2926
20 C8y C 27.3378 -23.3590
21 C7x C 28.5706 -21.2736
22 C8x C 24.9639 -15.1110
23 C8x C 22.5723 -15.1451
24 C1y C 27.7021 -15.4645
25 O5x O 27.7188 -17.8446
26 C8x C 26.1528 -24.0551
27 C8x C 28.5317 -24.0323
28 O7x O 29.7654 -21.9540
29 O6a O 28.5552 -19.9040
30 C8x C 25.0126 -13.7344
31 C8x C 22.5568 -13.7628
32 N1y N 29.0786 -15.4547
33 C1x C 27.2664 -14.1610
34 C8x C 26.1624 -25.4314
35 C8x C 28.5471 -25.4090
36 C1y C 30.9564 -21.2510
37 C8y C 23.7420 -13.0611
38 C5x C 29.7686 -16.6342
39 C1x C 29.4949 -14.1453
40 C1x C 28.3691 -13.3489
41 C8x C 27.3632 -26.1178
42 C1y C 32.1512 -21.9316
43 C1a C 30.9545 -20.0671
44 C1y C 31.1394 -16.6946
45 O5x O 29.0837 -17.8292
46 C5x C 31.4965 -19.1479
47 N1b N 32.1551 -23.3138
48 N1x N 31.8425 -17.8098
49 O5x O 30.1582 -19.1461
50 C5a C 33.3500 -23.9873
51 C8y C 33.2896 -25.3579
52 O5a O 34.5469 -23.2912
53 C8y C 34.4961 -26.0385
54 N5x N 32.1046 -26.0669
55 C8x C 34.5176 -27.4149
56 O1a O 35.6813 -25.3295
57 C8x C 32.1199 -27.4434
58 C8x C 33.3265 -28.1167
59 N1c N 23.7256 -11.6670
60 C1a C 24.9249 -10.9557
61 C1a C 22.5102 -10.9841
62 C1a C 31.8252 -15.4106
BOND 67
1 2 5 1
2 2 6 1
3 3 7 1
4 3 8 2
5 4 9 1
6 5 10 1
7 5 11 2
8 6 12 1
9 7 13 1
10 7 14 1
11 10 15 1
12 12 16 2
13 13 17 1
14 14 18 1
15 14 19 1
16 15 20 1
17 15 21 1
18 17 22 2
19 17 23 1
20 18 24 1
21 18 25 2
22 20 26 2
23 20 27 1
24 21 28 1
25 21 29 2
26 22 30 1
27 23 31 2
28 24 32 1
29 24 33 1
30 26 34 1
31 27 35 2
32 28 36 1
33 30 37 2
34 32 38 1
35 32 39 1
36 33 40 1
37 34 41 2
38 36 42 1
39 36 43 1
40 38 44 1
41 38 45 2
42 42 46 1
43 42 47 1
44 44 48 1
45 46 49 2
46 47 50 1
47 50 51 1
48 50 52 2
49 51 53 1
50 51 54 2
51 53 55 2
52 53 56 1
53 54 57 1
54 55 58 1
55 9 12 1
56 31 37 1
57 35 41 1
58 39 40 1
59 46 48 1
60 57 58 2
61 37 59 1
62 1 2 1
63 59 60 1
64 1 3 1
65 59 61 1
66 1 4 1
67 44 62 1
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