Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577827 | Gold | 3 |
COMPOUND NPA018280
PROPERTIES
| NPAID | NPA018280 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Tolybyssidin A |
| FORMULA | C71H116N16O17 |
| MOLECULAR WEIGHT (Da) | 1465.8040 |
| ACCURATE MASS (Da) | 1464.8704 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Tolypothrix |
| ORIGIN SPECIES | byssoidea |
| InChIKey | ZWXCBGUTACBDRV-VZVGHHAHSA-N |
| InChI | InChI=1S/C71H116N16O17/c1-18-38(12)53-65(98)78-48(33-44-26-22-21-23-27-44)60(93)75-45(20-3)58(91)79-50(35(6)7)64(97)86-57(42(16)104-43(17)90)69(102)85-56(41(15)89)67(100)80-51(36(8)9)63(96)81-52(37(10)11)70(103)87-31-25-29-49(87)62(95)76-46(28-24-30-74-71(72)73)59(92)77-47(32-34(4)5)61(94)84-55(40(14)88)68(101)83-54(39(13)19-2)66(99)82-53/h20-23,26-27,34-42,46-57,88-89H,18-19,24-25,28-33H2,1-17H3,(H,75,93)(H,76,95)(H,77,92)(H,78,98)(H,79,91)(H,80,100)(H,81,96)(H,82,99)(H,83,101)(H,84,94)(H,85,102)(H,86,97)(H4,72,73,74)/b45-20-/t38?,39?,40-,41+,42+,46-,47-,48+,49+,50-,51-,52+,53-,54+,55-,56+,57+/m1/s1 |
| SMILES | CCC(C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N/C(=C\C)/C(=O)N[C@@H](C(=O)N[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](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1)[C@@H](C)O)CC(C)C)CCCN=C(N)N)C(C)C)C(C)C)[C@H](C)O)[C@H](C)OC(=O)C)C(C)C)CC3=CC=CC=C3)C(C)CC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jaki, B; Zerbe, O; Heilmann, J; Sticher, O Two novel cyclic peptides with antifungal activity from the cyanobacterium Tolypothrix byssoidea (EAWAG 195) Journal of Natural Products 2001 64 (2) 154-158. | ||
|---|---|---|---|
| DOI | 10.1021/np000297e | PMID | 11429991 |
