Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001407
PROPERTIES
| NPAID | NPA001407 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Tolybyssidin B |
| FORMULA | C72H114N16O16S |
| MOLECULAR WEIGHT (Da) | 1491.8670 |
| ACCURATE MASS (Da) | 1490.8319 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Tolypothrix |
| ORIGIN SPECIES | byssoidea |
| InChIKey | QONBOMKYCJJCSL-PCULMCADSA-N |
| InChI | InChI=1S/C72H114N16O16S/c1-17-40(13)56-69(102)88-57(41(14)89)70(103)85-55(39(11)12)67(100)84-54(38(9)10)66(99)83-52(36(5)6)65(98)80-50(33-43-23-20-19-21-24-43)63(96)82-51(35(3)4)64(97)76-46(18-2)59(92)77-47(25-22-31-75-72(73)74)60(93)79-49(34-44-26-28-45(91)29-27-44)62(95)78-48(30-32-105-16)61(94)81-53(37(7)8)68(101)87-58(42(15)90)71(104)86-56/h18-21,23-24,26-29,35-42,47-58,89-91H,17,22,25,30-34H2,1-16H3,(H,76,97)(H,77,92)(H,78,95)(H,79,93)(H,80,98)(H,81,94)(H,82,96)(H,83,99)(H,84,100)(H,85,103)(H,86,104)(H,87,101)(H,88,102)(H4,73,74,75)/b46-18-/t40?,41-,42+,47-,48-,49+,50+,51-,52-,53-,54-,55+,56-,57-,58+/m0/s1 |
| SMILES | CCC(C)[C@H]1C(=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)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)N1)[C@@H](C)O)C(C)C)CCSC)CC2=CC=C(C=C2)O)CCCN=C(N)N)C(C)C)CC3=CC=CC=C3)C(C)C)C(C)C)C(C)C)[C@H](C)O |
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 |
