COMPOUND: C12011
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Entry
C12011 Compound
Name
DMG-MINO;
9-(N,N-Dimethylglycylamido)minocycline
Formula
C27H35N5O8
Exact mass
557.2486
Mol weight
557.5955
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK07 Linear tetracyclines
C12011 DMG-MINO
BRITE hierarchy
Other DBs
CAS:
151922-16-6
PubChem:
14169
ChEBI:
29569
LIPIDMAPS:
LMPK07000009
3DMET:
B04410
NIKKAJI:
J556.658D
LinkDB
All DBs
KCF data
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ATOM 40
1 C8x C 22.9636 -18.9045
2 C8y C 22.9636 -20.3058
3 C8y C 24.1801 -21.0065
4 C8y C 24.1801 -18.2038
5 C8y C 25.3895 -18.9045
6 C8y C 25.3835 -20.3058
7 C5x C 26.5941 -21.0116
8 C1x C 26.6060 -18.2091
9 C1y C 27.8166 -18.9149
10 C2y C 27.8040 -20.3124
11 C2y C 29.0079 -21.0223
12 C1x C 29.0332 -18.2269
13 C1y C 30.2374 -18.9368
14 C1z C 30.2171 -20.3340
15 C5x C 31.4172 -21.0501
16 C2y C 32.7073 -20.3690
17 C2y C 32.6575 -18.9718
18 C1y C 31.4574 -18.2556
19 N1b N 21.7503 -21.0071
20 C5a C 20.5365 -20.3070
21 C1b C 19.3232 -21.0083
22 N1c N 18.1093 -20.3084
23 C1a C 16.8962 -21.0097
24 C1a C 18.1086 -18.9070
25 O5a O 20.5357 -18.9057
26 O1a O 33.8810 -18.2886
27 C5a C 33.8405 -21.0870
28 O5a O 33.8203 -22.4881
29 N1a N 35.0642 -20.4040
30 N1c N 31.4777 -16.8545
31 C1a C 32.7013 -16.1713
32 C1a C 30.2744 -16.1363
33 N1c N 24.1818 -16.8025
34 C1a C 25.3963 -16.1034
35 C1a C 22.9692 -16.1003
36 O5x O 26.5914 -22.4129
37 O1a O 28.9974 -22.4236
38 O5x O 31.3970 -22.4513
39 O1a O 24.1833 -22.4078
40 O1a O 30.2037 -21.7284
BOND 43
1 5 4 2
2 19 20 1
3 4 1 1
4 20 21 1
5 21 22 1
6 1 2 2
7 22 23 1
8 9 10 1
9 22 24 1
10 10 11 2
11 20 25 2
12 11 14 1
13 17 26 1
14 13 12 1
15 16 27 1
16 12 9 1
17 27 28 2
18 2 3 1
19 27 29 1
20 3 6 2
21 18 30 1 #Down
22 5 6 1
23 30 31 1
24 6 7 1
25 30 32 1
26 7 10 1
27 4 33 1
28 9 8 1
29 33 34 1
30 13 14 1
31 33 35 1
32 14 15 1
33 7 36 2
34 15 16 1
35 11 37 1
36 16 17 2
37 15 38 2
38 17 18 1
39 3 39 1
40 18 13 1
41 14 40 1 #Down
42 8 5 1
43 2 19 1
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