Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032940
PROPERTIES
| NPAID | NPA032940 |
|---|---|
| CLUSTER ID | 2347 |
| NODE ID | 141 |
| NAME | Grimoviridin |
| FORMULA | C68H101N19O24 |
| MOLECULAR WEIGHT (Da) | 1568.6650 |
| ACCURATE MASS (Da) | 1567.7267 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Grimontia |
| ORIGIN SPECIES | marina NBRC 105794 |
| InChIKey | GCECSRILXYQLFJ-KCHKQGOKSA-N |
| InChI | InChI=1S/C68H101N19O24/c1-6-32(2)52(69)64(105)75-33(3)54(95)86-53-35(5)111-51(94)28-43-61(102)81-41(26-49(91)92)59(100)82-42-27-50(93)110-31-45(62(103)83-43)85-63(104)46-19-14-24-87(46)66(107)34(4)76-56(97)37(78-57(98)38(80-65(53)106)18-13-23-73-68(70)71)17-11-8-12-22-72-47(89)21-20-39(79-60(42)101)55(96)74-29-48(90)77-40(25-36-15-9-7-10-16-36)58(99)84-44(30-88)67(108)109/h7,9-10,15-16,32-35,37-46,52-53,88H,6,8,11-14,17-31,69H2,1-5H3,(H,72,89)(H,74,96)(H,75,105)(H,76,97)(H,77,90)(H,78,98)(H,79,101)(H,80,106)(H,81,102)(H,82,100)(H,83,103)(H,84,99)(H,85,104)(H,86,95)(H,91,92)(H,108,109)(H4,70,71,73)/t32-,33-,34-,35+,37-,38-,39-,40+,41-,42-,43-,44+,45-,46-,52-,53-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]2CCCCCNC(=O)CC[C@@H](C(=O)NCC(=O)N[C@H](CC3=CC=CC=C3)C(=O)N[C@H](CO)C(=O)O)NC(=O)[C@@H]3CC(=O)OC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](C)NC2=O)C(=O)N[C@@H](CC(=O)O[C@@H]1C)C(=O)N[C@@H](CC(=O)O)C(=O)N3 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Unno, Kohta; Kaweewan, Issara; Nakagawa, Hiroyuki; Kodani, Shinya Heterologous expression of a cryptic gene cluster from Grimontia marina affords a novel tricyclic peptide grimoviridin Applied Microbiology and Biotechnology 2020 104 (12) 5293-5302. | ||
|---|---|---|---|
| DOI | 10.1007/s00253-020-10605-z | PMID | 32300852 |
