Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577817 | Gold | 3 |
COMPOUND NPA027382
PROPERTIES
| NPAID | NPA027382 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 26 |
| NAME | Portoamide D |
| FORMULA | C61H94N12O18 |
| MOLECULAR WEIGHT (Da) | 1283.4890 |
| ACCURATE MASS (Da) | 1282.6809 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Oscillatoria |
| ORIGIN SPECIES | sp. LEGE 5292 |
| InChIKey | OCPKVHKLLYWOOG-FIAGRJNLSA-N |
| InChI | InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1 |
| SMILES | C/C=C1/NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)C(O)C(CC(O)CC(O)C(O)CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC2=CC=CC=C2)NC(=O)[C@H]([C@@H](C)O)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Leão PN; Pereira AR; Liu WT; Ng J; Pevzner PA; Dorrestein PC; König GM; Vasconcelos VM; Gerwick WH Synergistic allelochemicals from a freshwater cyanobacterium. Proceedings of the National Academy of Sciences of the United States of America 2010 107 (25) 11183-11188. | ||
|---|---|---|---|
| DOI | 10.1073/pnas.0914343107 | PMID | 20534563 |
