Entry
Name
Microcystin LR;
Microcystin-LR
Formula
C49H74N10O12
Exact mass
994.5488
Mol weight
995.1717
Structure
Mol file KCF file DB search
Sequence
0 Phenylacetate 1 Mtd 2 Mtd 3 Mae 4 Mtn 5 D-Glu 6 Ala 7 D-Ala 8 Leu 9 D-Asp 10 Arg (Cyclization: 5-10)
Gene
Organism
[1] Anabaena circinalis 90 [2] Oscillatoria agardhii (Planktothrix agardhii) [3] Microcystis aeruginosa
Type
PKNRP
Comment
6 Ala is modified by N-methyldehydro. (i.e. N-Methyldehydroalanine, Mdha)
9 D-Asp is modified by erythro-beta-methyl. (i.e. D-erythro-beta-Methylaspartic acid, D-MeAsp)
Pathway
map01054 Nonribosomal peptide structures
Brite
Lipids [BR:br08002 ]
PK Polyketides
PK14 Non-ribosomal peptide/polyketide hybrids
C05371 Microcystin LR
Natural toxins [BR:br08009 ]
Cyanotoxins
Peptides
Microcystins
C05371 Microcystin LR
BRITE hierarchy
Other DBs
KCF data
Show ATOM 71
1 C1c C 38.4227 -17.3464
2 C1b C 39.6223 -18.0326
3 C1c C 39.6254 -19.4101
4 C1a C 40.8181 -20.0963
5 C1a C 38.4287 -20.1015
6 C8x C 16.8647 -13.3041
7 C8x C 15.6809 -14.0359
8 C8x C 15.7242 -15.4294
9 C8x C 16.9475 -16.0850
10 C8y C 18.1313 -15.3535
11 C8x C 18.0917 -13.9659
12 C1b C 19.3155 -16.0348
13 C1c C 20.5032 -15.3460
14 C1c C 21.6981 -16.0277
15 C2b C 22.8858 -15.3390
16 C2c C 24.0737 -16.0208
17 C2b C 25.2685 -15.3319
18 C2b C 26.4563 -16.0137
19 C1c C 27.6442 -15.3249
20 N1b N 28.8319 -16.0066
21 O2a O 20.5001 -13.9684
22 C1a C 21.7011 -17.4053
23 C1a C 24.0767 -17.3982
24 C1c C 27.6411 -13.9473
25 C5a C 28.8307 -13.2559
26 C5a C 28.8364 -17.3842
27 C1c C 30.0368 -18.0691
28 O5a O 27.6476 -18.0768
29 C1b C 30.0412 -19.4467
30 N1b N 31.2257 -17.3765
31 C1b C 28.8452 -20.1393
32 C1b C 28.8498 -21.5170
33 N1b N 27.6609 -22.2096
34 C2c C 27.6653 -23.5872
35 N2a N 26.4764 -24.2798
36 N1a N 28.8585 -24.2721
37 C5a C 32.4191 -18.0615
38 C1c C 33.6149 -17.3689
39 O5a O 32.4235 -19.4390
40 C1c C 34.8083 -18.0537
41 C1a C 33.6105 -15.9912
42 C6a C 34.8127 -19.4314
43 O6a O 36.0061 -20.1162
44 O6a O 33.6238 -20.1240
45 C1a C 21.6968 -13.2770
46 N1b N 36.0115 -17.3545
47 C5a C 37.2186 -18.0468
48 O5a O 37.2227 -19.4384
49 N1b N 39.6549 -15.7591
50 C1a C 26.4340 -13.2545
51 O5a O 30.0380 -13.9482
52 N1b N 28.8266 -11.8643
53 C1c C 30.0299 -11.1649
54 C6a C 30.0258 -9.7733
55 C1b C 31.2287 -11.8528
56 C1b C 32.4306 -11.1570
57 C5a C 33.6324 -11.8459
58 N1c N 34.8343 -11.1501
59 C2c C 36.0361 -11.8388
60 C5a C 37.2380 -11.1430
61 N1b N 38.4399 -11.8317
62 O5a O 33.5655 -13.2375
63 C1a C 34.8312 -9.7584
64 C2a C 36.0392 -13.2304
65 O5a O 37.2350 -9.7513
66 C1c C 38.4429 -13.2233
67 C1a C 37.4640 -14.4208
68 C5a C 39.6497 -13.9166
69 O5a O 40.8532 -13.2181
70 O6a O 31.2289 -9.0741
71 O6a O 28.8185 -9.0810
BOND 72
1 8 9 2
2 30 37 1
3 18 19 1
4 37 38 1
5 9 10 1
6 37 39 2
7 19 20 1
8 38 40 1
9 10 11 2
10 38 41 1 #Up
11 13 21 1 #Down
12 40 42 1 #Up
13 11 6 1
14 42 43 1
15 14 22 1 #Down
16 42 44 2
17 1 2 1 #Up
18 21 45 1
19 16 23 1
20 10 12 1
21 40 46 1
22 19 24 1
23 46 47 1
24 47 1 1
25 3 4 1
26 47 48 2
27 24 25 1
28 1 49 1
29 12 13 1
30 24 50 1 #Down
31 20 26 1
32 25 51 2
33 25 52 1
34 26 27 1
35 52 53 1
36 13 14 1
37 53 54 1 #Up
38 26 28 2
39 53 55 1
40 3 5 1
41 55 56 1
42 27 29 1 #Up
43 56 57 1
44 14 15 1
45 57 58 1
46 27 30 1
47 58 59 1
48 2 3 1
49 59 60 1
50 29 31 1
51 60 61 1
52 15 16 2
53 57 62 2
54 31 32 1
55 58 63 1
56 6 7 2
57 59 64 2
58 32 33 1
59 60 65 2
60 16 17 1
61 61 66 1
62 33 34 1
63 66 67 1 #Up
64 7 8 1
65 66 68 1
66 68 49 1
67 34 35 2
68 68 69 2
69 17 18 2
70 54 70 1
71 34 36 1
72 54 71 2