Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033488
PROPERTIES
| NPAID | NPA033488 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Scytocyclamide C |
| 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 | MXJFACMBSIQIJG-RWIGEKMRSA-N |
| InChI | InChI=1S/C63H110N14O18/c1-16-18-19-21-37-28-43(81)71-44(31(7)8)57(89)74-47(50(82)32(9)10)59(91)66-34(12)53(85)69-39(26-29(3)4)54(86)68-38(23-24-42(64)80)62(94)76(15)49(33(11)17-2)61(93)75-48(51(83)52(65)84)60(92)73-46(36(14)79)63(95)77-25-20-22-41(77)56(88)70-40(27-30(5)6)55(87)72-45(35(13)78)58(90)67-37/h29-41,44-51,78-79,82-83H,16-28H2,1-15H3,(H2,64,80)(H2,65,84)(H,66,91)(H,67,90)(H,68,86)(H,69,85)(H,70,88)(H,71,81)(H,72,87)(H,73,92)(H,74,89)(H,75,93)/t33-,34-,35+,36-,37?,38-,39+,40+,41-,44-,45-,46+,47+,48+,49-,50?,51?/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](C(O)C(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 |
