Showing NP-Card for Bulbiferamide C (NP0352748)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2026-02-15 06:17:14 UTC | |||||||||||||||
| Updated at | 2026-02-15 08:01:41 UTC | |||||||||||||||
| NP-MRD ID | NP0352748 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/7037 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | Bulbiferamide C | |||||||||||||||
| Description | Bulbiferamide C was first documented in 2023 (PMID: 37092875). | |||||||||||||||
| Structure |  MOL for NP0352748 (Bulbiferamide C)
Mrv2104 03162303302D
61 64 0 0 1 0 999 V2000
1.6250 -2.8316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0849 -2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3550 -1.4284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8149 -0.8048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0047 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5353 -0.3370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3455 -0.4929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.8856 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6957 -0.0252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2358 0.5984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.6402 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4490 0.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5445 0.8612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.2835 0.4943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.3352 -0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0741 -0.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9707 0.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2961 -0.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3937 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2313 1.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5995 2.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7907 2.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2456 2.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5094 3.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3183 3.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8633 3.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8507 2.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6883 3.0868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3076 3.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0893 3.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7086 3.9131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.4903 3.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6526 2.8404 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.4343 2.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0536 3.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8353 2.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4546 3.4029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.2363 3.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8556 3.6841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.3987 2.3302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.0333 2.2953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.1957 1.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9829 1.2397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1096 4.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2516 2.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7290 1.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1452 4.4407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6155 0.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6155 -1.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0754 -1.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2653 -1.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3455 -2.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2445 -1.7501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1651 -1.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7052 -1.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5153 -1.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0554 -2.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7854 -3.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9752 -3.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4351 -2.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2748 -2.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
3 2 1 0 0 0 0
3 4 1 1 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
7 6 1 1 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
10 9 1 1 0 0 0
10 11 1 6 0 0 0
11 12 1 0 0 0 0
13 12 1 1 0 0 0
13 14 1 6 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
14 17 1 6 0 0 0
11 18 2 0 0 0 0
10 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
21 26 1 0 0 0 0
20 27 2 0 0 0 0
27 28 1 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
33 32 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
38 40 2 0 0 0 0
33 41 1 0 0 0 0
41 42 1 0 0 0 0
13 42 1 0 0 0 0
42 43 2 0 0 0 0
32 44 2 0 0 0 0
30 45 2 0 0 0 0
45 46 1 0 0 0 0
29 47 2 0 0 0 0
8 48 2 0 0 0 0
7 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
50 52 1 0 0 0 0
5 53 2 0 0 0 0
3 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
55 60 1 0 0 0 0
2 61 1 0 0 0 0
M END
3D SDF for NP0352748 (Bulbiferamide C)
Mrv2104 03162303302D
61 64 0 0 1 0 999 V2000
1.6250 -2.8316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0849 -2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3550 -1.4284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8149 -0.8048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0047 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5353 -0.3370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3455 -0.4929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.8856 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6957 -0.0252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2358 0.5984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.6402 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4490 0.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5445 0.8612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.2835 0.4943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.3352 -0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0741 -0.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9707 0.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2961 -0.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3937 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2313 1.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5995 2.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7907 2.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2456 2.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5094 3.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3183 3.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8633 3.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8507 2.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6883 3.0868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3076 3.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0893 3.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7086 3.9131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.4903 3.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6526 2.8404 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.4343 2.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0536 3.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8353 2.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4546 3.4029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.2363 3.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8556 3.6841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.3987 2.3302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.0333 2.2953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.1957 1.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9829 1.2397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1096 4.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2516 2.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7290 1.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1452 4.4407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6155 0.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6155 -1.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0754 -1.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2653 -1.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3455 -2.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2445 -1.7501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1651 -1.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7052 -1.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5153 -1.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0554 -2.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7854 -3.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9752 -3.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4351 -2.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2748 -2.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
3 2 1 0 0 0 0
3 4 1 1 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
7 6 1 1 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
10 9 1 1 0 0 0
10 11 1 6 0 0 0
11 12 1 0 0 0 0
13 12 1 1 0 0 0
13 14 1 6 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
14 17 1 6 0 0 0
11 18 2 0 0 0 0
10 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
21 26 1 0 0 0 0
20 27 2 0 0 0 0
27 28 1 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
33 32 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
38 40 2 0 0 0 0
33 41 1 0 0 0 0
41 42 1 0 0 0 0
13 42 1 0 0 0 0
42 43 2 0 0 0 0
32 44 2 0 0 0 0
30 45 2 0 0 0 0
45 46 1 0 0 0 0
29 47 2 0 0 0 0
8 48 2 0 0 0 0
7 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
50 52 1 0 0 0 0
5 53 2 0 0 0 0
3 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
55 60 1 0 0 0 0
2 61 1 0 0 0 0
M END
> <DATABASE_ID>
NP0352748
> <DATABASE_NAME>
NP-MRD
> <SMILES>
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CN(C3=CC=CC=C23)C(=O)\C(NC(=O)[C@H](CCCNC(N)=N)NC1=O)=C\C)NC(=O)[C@H](CC(C)C)NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
> <INCHI_IDENTIFIER>
InChI=1S/C43H58N10O8/c1-6-25(5)35-39(57)48-30(17-13-19-46-42(44)45)36(54)47-29(7-2)40(58)53-23-27(28-16-11-12-18-34(28)53)22-32(38(56)52-35)49-37(55)31(20-24(3)4)50-43(61)51-33(41(59)60)21-26-14-9-8-10-15-26/h7-12,14-16,18,23-25,30-33,35H,6,13,17,19-22H2,1-5H3,(H,47,54)(H,48,57)(H,49,55)(H,52,56)(H,59,60)(H4,44,45,46)(H2,50,51,61)/b29-7-/t25-,30-,31-,32?,33-,35?/m0/s1
> <INCHI_KEY>
XTGCNTZTMRTGQB-ARLHBOICSA-N
> <FORMULA>
C43H58N10O8
> <MOLECULAR_WEIGHT>
842.999
> <EXACT_MASS>
842.443908868
$$$$
PDB for NP0352748 (Bulbiferamide C)HEADER PROTEIN 16-MAR-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 16-MAR-23 0 HETATM 1 O UNK 0 3.033 -5.286 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 2.025 -4.122 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 2.529 -2.666 0.000 0.00 0.00 C+0 HETATM 4 N UNK 0 1.521 -1.502 0.000 0.00 0.00 N+0 HETATM 5 C UNK 0 0.009 -1.793 0.000 0.00 0.00 C+0 HETATM 6 N UNK 0 -0.999 -0.629 0.000 0.00 0.00 N+0 HETATM 7 C UNK 0 -2.512 -0.920 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -3.520 0.244 0.000 0.00 0.00 C+0 HETATM 9 N UNK 0 -5.032 -0.047 0.000 0.00 0.00 N+0 HETATM 10 C UNK 0 -6.040 1.117 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -6.795 -0.225 0.000 0.00 0.00 C+0 HETATM 12 N UNK 0 -8.305 0.078 0.000 0.00 0.00 N+0 HETATM 13 C UNK 0 -8.483 1.608 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -9.862 0.923 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -9.959 -0.614 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -11.338 -1.299 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -11.145 1.775 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 -6.153 -1.625 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 -4.468 1.725 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -4.165 3.235 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -2.986 4.320 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.476 4.017 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.458 5.173 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -0.951 6.632 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -2.461 6.935 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -3.478 5.779 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -5.321 4.252 0.000 0.00 0.00 C+0 HETATM 28 N UNK 0 -5.018 5.762 0.000 0.00 0.00 N+0 HETATM 29 C UNK 0 -6.174 6.779 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -7.633 6.287 0.000 0.00 0.00 C+0 HETATM 31 N UNK 0 -8.789 7.304 0.000 0.00 0.00 N+0 HETATM 32 C UNK 0 -10.248 6.812 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -10.552 5.302 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -12.011 4.810 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -13.167 5.827 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -14.626 5.335 0.000 0.00 0.00 C+0 HETATM 37 N UNK 0 -15.782 6.352 0.000 0.00 0.00 N+0 HETATM 38 C UNK 0 -17.241 5.860 0.000 0.00 0.00 C+0 HETATM 39 N UNK 0 -18.397 6.877 0.000 0.00 0.00 N+0 HETATM 40 N UNK 0 -17.544 4.350 0.000 0.00 0.00 N+0 HETATM 41 N UNK 0 -9.396 4.285 0.000 0.00 0.00 N+0 HETATM 42 C UNK 0 -9.699 2.775 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 -11.168 2.314 0.000 0.00 0.00 O+0 HETATM 44 O UNK 0 -11.405 7.829 0.000 0.00 0.00 O+0 HETATM 45 C UNK 0 -7.936 4.777 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -8.827 3.521 0.000 0.00 0.00 C+0 HETATM 47 O UNK 0 -5.871 8.289 0.000 0.00 0.00 O+0 HETATM 48 O UNK 0 -3.016 1.699 0.000 0.00 0.00 O+0 HETATM 49 C UNK 0 -3.016 -2.375 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 -2.007 -3.539 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 -0.495 -3.248 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 -2.512 -4.995 0.000 0.00 0.00 C+0 HETATM 53 O UNK 0 0.456 -3.267 0.000 0.00 0.00 O+0 HETATM 54 C UNK 0 4.042 -2.375 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 5.050 -3.539 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 6.562 -3.248 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 7.570 -4.413 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 7.066 -5.868 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 5.554 -6.159 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 4.546 -4.995 0.000 0.00 0.00 C+0 HETATM 61 O UNK 0 0.513 -4.413 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 61 CONECT 3 2 4 54 CONECT 4 3 5 CONECT 5 4 6 53 CONECT 6 5 7 CONECT 7 6 8 49 CONECT 8 7 9 48 CONECT 9 8 10 CONECT 10 9 11 19 CONECT 11 10 12 18 CONECT 12 11 13 CONECT 13 12 14 42 CONECT 14 13 15 17 CONECT 15 14 16 CONECT 16 15 CONECT 17 14 CONECT 18 11 CONECT 19 10 20 CONECT 20 19 21 27 CONECT 21 20 22 26 CONECT 22 21 23 CONECT 23 22 24 CONECT 24 23 25 CONECT 25 24 26 CONECT 26 25 21 28 CONECT 27 20 28 CONECT 28 27 26 29 CONECT 29 28 30 47 CONECT 30 29 31 45 CONECT 31 30 32 CONECT 32 31 33 44 CONECT 33 32 34 41 CONECT 34 33 35 CONECT 35 34 36 CONECT 36 35 37 CONECT 37 36 38 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 CONECT 41 33 42 CONECT 42 41 13 43 CONECT 43 42 CONECT 44 32 CONECT 45 30 46 CONECT 46 45 CONECT 47 29 CONECT 48 8 CONECT 49 7 50 CONECT 50 49 51 52 CONECT 51 50 CONECT 52 50 CONECT 53 5 CONECT 54 3 55 CONECT 55 54 56 60 CONECT 56 55 57 CONECT 57 56 58 CONECT 58 57 59 CONECT 59 58 60 CONECT 60 59 55 CONECT 61 2 MASTER 0 0 0 0 0 0 0 0 61 0 128 0 END SMILES for NP0352748 (Bulbiferamide C)CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CN(C3=CC=CC=C23)C(=O)\C(NC(=O)[C@H](CCCNC(N)=N)NC1=O)=C\C)NC(=O)[C@H](CC(C)C)NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O INCHI for NP0352748 (Bulbiferamide C)InChI=1S/C43H58N10O8/c1-6-25(5)35-39(57)48-30(17-13-19-46-42(44)45)36(54)47-29(7-2)40(58)53-23-27(28-16-11-12-18-34(28)53)22-32(38(56)52-35)49-37(55)31(20-24(3)4)50-43(61)51-33(41(59)60)21-26-14-9-8-10-15-26/h7-12,14-16,18,23-25,30-33,35H,6,13,17,19-22H2,1-5H3,(H,47,54)(H,48,57)(H,49,55)(H,52,56)(H,59,60)(H4,44,45,46)(H2,50,51,61)/b29-7-/t25-,30-,31-,32?,33-,35?/m0/s1 3D Structure for NP0352748 (Bulbiferamide C) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C43H58N10O8 | |||||||||||||||
| Average Mass | 842.9990 Da | |||||||||||||||
| Monoisotopic Mass | 842.44391 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CN(C3=CC=CC=C23)C(=O)\C(NC(=O)[C@H](CCCNC(N)=N)NC1=O)=C\C)NC(=O)[C@H](CC(C)C)NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O | |||||||||||||||
| InChI Identifier | InChI=1S/C43H58N10O8/c1-6-25(5)35-39(57)48-30(17-13-19-46-42(44)45)36(54)47-29(7-2)40(58)53-23-27(28-16-11-12-18-34(28)53)22-32(38(56)52-35)49-37(55)31(20-24(3)4)50-43(61)51-33(41(59)60)21-26-14-9-8-10-15-26/h7-12,14-16,18,23-25,30-33,35H,6,13,17,19-22H2,1-5H3,(H,47,54)(H,48,57)(H,49,55)(H,52,56)(H,59,60)(H4,44,45,46)(H2,50,51,61)/b29-7-/t25-,30-,31-,32?,33-,35?/m0/s1 | |||||||||||||||
| InChI Key | XTGCNTZTMRTGQB-ARLHBOICSA-N | |||||||||||||||
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| Classification | Not classified | |||||||||||||||
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| State | Not Available | |||||||||||||||
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| External Links | Not Available | |||||||||||||||
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