Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032955
PROPERTIES
| NPAID | NPA032955 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Scytocyclamide B2 |
| FORMULA | C63H110N14O18 |
| MOLECULAR WEIGHT (Da) | 1351.6530 |
| ACCURATE MASS (Da) | 1350.8123 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Scytonema |
| ORIGIN SPECIES | hofmannii PCC 7110 |
| InChIKey | ZDTMYQLDHDONSC-NOSQDEANSA-N |
| InChI | InChI=1S/C63H110N14O18/c1-16-18-19-21-37-27-44(82)71-45(30(5)6)57(89)75-48(51(83)31(7)8)59(91)66-34(12)53(85)74-49(52(84)32(9)10)60(92)68-38(23-24-42(64)80)62(94)76(15)50(33(11)17-2)61(93)70-40(28-43(65)81)55(87)73-47(36(14)79)63(95)77-25-20-22-41(77)56(88)69-39(26-29(3)4)54(86)72-46(35(13)78)58(90)67-37/h29-41,45-52,78-79,83-84H,16-28H2,1-15H3,(H2,64,80)(H2,65,81)(H,66,91)(H,67,90)(H,68,92)(H,69,88)(H,70,93)(H,71,82)(H,72,86)(H,73,87)(H,74,85)(H,75,89)/t33-,34-,35+,36-,37?,38-,39+,40+,41-,45-,46-,47+,48+,49+,50-,51?,52?/m0/s1 |
| SMILES | CCCCCC1CC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H]([C@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Heinilä, Lassi Matti Petteri; Fewer, David P.; Jokela, Jouni Kalevi; Wahlsten, Matti; Jortikka, Anna; Sivonen, Kaarina Shared PKS Module in Biosynthesis of Synergistic Laxaphycins Frontiers in Microbiology 2020 11 (nan) 578878. | ||
|---|---|---|---|
| DOI | 10.3389/fmicb.2020.578878 | PMID | 33042096 |
