Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032956
PROPERTIES
| NPAID | NPA032956 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Scytocyclamide B3 |
| FORMULA | C63H110N14O17 |
| MOLECULAR WEIGHT (Da) | 1335.6540 |
| ACCURATE MASS (Da) | 1334.8173 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Scytonema |
| ORIGIN SPECIES | hofmannii PCC 7110 |
| InChIKey | FIBARFWLQNLEOK-LYMHVENWSA-N |
| InChI | InChI=1S/C63H110N14O17/c1-16-18-19-21-38-28-46(82)72-47(32(7)8)58(89)75-50(52(83)33(9)10)60(91)66-35(12)53(84)69-40(26-30(3)4)54(85)68-39(23-24-44(64)80)62(93)76(15)51(34(11)17-2)61(92)71-42(29-45(65)81)56(87)74-49(37(14)79)63(94)77-25-20-22-43(77)57(88)70-41(27-31(5)6)55(86)73-48(36(13)78)59(90)67-38/h30-43,47-52,78-79,83H,16-29H2,1-15H3,(H2,64,80)(H2,65,81)(H,66,91)(H,67,90)(H,68,85)(H,69,84)(H,70,88)(H,71,92)(H,72,82)(H,73,86)(H,74,87)(H,75,89)/t34-,35-,36+,37-,38?,39-,40+,41+,42+,43-,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](CC(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 |
