Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001789 | Gold | 1 |
| CCMSLIB00000001787 | Gold | 1 |
| CCMSLIB00000001788 | Gold | 1 |
| CCMSLIB00000001691 | Gold | 1 |
| CCMSLIB00000001687 | Gold | 1 |
| CCMSLIB00000001688 | Gold | 1 |
COMPOUND NPA027379
PROPERTIES
| NPAID | NPA027379 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Portoamide A |
| FORMULA | C74H109N13O22 |
| MOLECULAR WEIGHT (Da) | 1532.7550 |
| ACCURATE MASS (Da) | 1531.7810 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Oscillatoria |
| ORIGIN SPECIES | sp. LEGE 5292 |
| InChIKey | IURIYLBJXOYFRR-CFLUNQOMSA-N |
| InChI | InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-46(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-47(36-58(93)57(92)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,47,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,47?,49+,50+,51?,52-,53-,54-,55-,56-,57?,58?,61+,62-,63?/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(CC(O)C(O)CC(C)C)OC(=O)[C@H](CC2=CC=C(O)C=C2)N(C)C(C)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC2=CC=C(OC)C=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 |
