Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024638
PROPERTIES
| NPAID | NPA024638 |
|---|---|
| CLUSTER ID | 2347 |
| NODE ID | 141 |
| NAME | Marinostatin |
| FORMULA | C60H83N15O21S |
| MOLECULAR WEIGHT (Da) | 1382.4750 |
| ACCURATE MASS (Da) | 1381.5609 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Alteromonas |
| ORIGIN SPECIES | sp. |
| InChIKey | JZUVZIYGKYSJHT-JFCKRRLISA-N |
| InChI | InChI=1S/C60H83N15O21S/c1-29(65-49(83)34(61)23-31-9-5-4-6-10-31)48(82)74-47-30(2)96-46(81)26-39-53(87)72-41(27-76)54(88)69-38(52(86)68-37(59(93)94)17-18-44(78)79)25-45(80)95-28-42(55(89)70-39)73-56(90)43-12-8-21-75(43)58(92)40(24-32-13-15-33(77)16-14-32)71-50(84)35(11-7-20-64-60(62)63)66-51(85)36(19-22-97-3)67-57(47)91/h4-6,9-10,13-16,29-30,34-43,47,76-77H,7-8,11-12,17-28,61H2,1-3H3,(H,65,83)(H,66,85)(H,67,91)(H,68,86)(H,69,88)(H,70,89)(H,71,84)(H,72,87)(H,73,90)(H,74,82)(H,78,79)(H,93,94)(H4,62,63,64)/t29-,30+,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1 |
| SMILES | C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H]3COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O1)NC3=O)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC4=CC=C(C=C4)O)CCCN=C(N)N)CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CC5=CC=CC=C5)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kanaori K; Kamei K; Taniguchi M; Koyama T; Yasui T; Takano R; Imada C; Tajima K; Hara S Solution structure of marinostatin, a natural ester-linked protein protease inhibitor. Biochemistry 2005 44 (7) 2462-2468. | ||
|---|---|---|---|
| DOI | 10.1021/bi048034x | PMID | 15709758 |
