Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032954
PROPERTIES
| NPAID | NPA032954 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Scytocyclamide A2 |
| FORMULA | C61H98N12O13 |
| MOLECULAR WEIGHT (Da) | 1207.5260 |
| ACCURATE MASS (Da) | 1206.7376 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Scytonema |
| ORIGIN SPECIES | hofmannii PCC 7110 |
| InChIKey | RKZXFUNWWLAGGB-UATNWESBSA-N |
| InChI | InChI=1S/C61H98N12O13/c1-11-15-17-23-40-33-49(76)65-42(25-26-48(62)75)54(79)66-41(14-4)61(86)73-28-20-24-47(73)58(83)67-43(27-29-74)55(80)69-46(32-39-21-18-16-19-22-39)56(81)68-45(31-36(7)8)57(82)71-52(38(10)13-3)60(85)72-51(37(9)12-2)59(84)70-44(30-35(5)6)53(78)63-34-50(77)64-40/h14,16,18-19,21-22,35-38,40,42-47,51-52,74H,11-13,15,17,20,23-34H2,1-10H3,(H2,62,75)(H,63,78)(H,64,77)(H,65,76)(H,66,79)(H,67,83)(H,68,81)(H,69,80)(H,70,84)(H,71,82)(H,72,85)/b41-14+/t37-,38-,40?,42-,43-,44-,45+,46+,47-,51+,52-/m0/s1 |
| SMILES | C/C=C1/NC(=O)[C@H](CCC(N)=O)NC(=O)CC(CCCCC)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCO)NC(=O)[C@@H]2CCCN2C1=O |
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 |
