Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032873
PROPERTIES
| NPAID | NPA032873 |
|---|---|
| CLUSTER ID | 1167 |
| NODE ID | 141 |
| NAME | Ulleungdin |
| FORMULA | C78H101N19O18 |
| MOLECULAR WEIGHT (Da) | 1592.7810 |
| ACCURATE MASS (Da) | 1591.7572 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. KCB13F003 |
| InChIKey | IKMBHYDVZYDFLO-CUDJSNFSSA-N |
| InChI | InChI=1S/C78H101N19O18/c1-5-44(3)68-77(114)87-41-66(104)91-58(32-49-35-81-53-22-14-13-21-52(49)53)72(109)86-39-64(102)89-54(23-15-16-28-79)73(110)94-60(34-61(99)82-38-63(101)90-57(75(112)96-68)30-47-19-11-8-12-20-47)76(113)97-69(45(4)6-2)78(115)95-56(29-46-17-9-7-10-18-46)71(108)85-40-65(103)92-59(33-50-36-80-43-88-50)74(111)93-55(31-48-24-26-51(98)27-25-48)70(107)84-37-62(100)83-42-67(105)106/h7-14,17-22,24-27,35-36,43-45,54-60,68-69,81,98H,5-6,15-16,23,28-34,37-42,79H2,1-4H3,(H,80,88)(H,82,99)(H,83,100)(H,84,107)(H,85,108)(H,86,109)(H,87,114)(H,89,102)(H,90,101)(H,91,104)(H,92,103)(H,93,111)(H,94,110)(H,95,115)(H,96,112)(H,97,113)(H,105,106)/t44-,45-,54-,55-,56-,57-,58-,59-,60-,68-,69-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)C[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)N[C@@H](CC2=CN=C[NH]2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)NCC(=O)NCC(=O)O)[C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC2=C[NH]C3=CC=CC=C23)NC(=O)CNC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Son, Sangkeun; Jang, Mina; Lee, Byeongsan; Hong, Young-Soo; Ko, Sung-Kyun; Jang, Jae-Hyuk; Ahn, Jong Seog Ulleungdin, a Lasso Peptide with Cancer Cell Migration Inhibitory Activity Discovered by the Genome Mining Approach Journal of Natural Products 2018 81 (10) 2205-2211. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.8b00449 | PMID | 30251851 |
