Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001548 | Gold | Hoiamide&B |
| CCMSLIB00000070258 | Gold | 2!CCMSLIB00000070259 |
| CCMSLIB00012109677 | Gold | 4 |
| CCMSLIB00009949474 | Gold | 4 |
COMPOUND NPA005566
PROPERTIES
| NPAID | NPA005566 |
|---|---|
| CLUSTER ID | 2260 |
| NODE ID | 1790 |
| NAME | Hoiamide B |
| FORMULA | C45H73N5O10S3 |
| MOLECULAR WEIGHT (Da) | 940.3050 |
| ACCURATE MASS (Da) | 939.4520 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Symploca |
| ORIGIN SPECIES | sp. |
| InChIKey | KNGPFNUOXXLKCN-KKCRFZLHSA-N |
| InChI | InChI=1S/C45H73N5O10S3/c1-14-17-24(6)34(52)26(8)37-25(7)30(58-13)18-31-46-29(19-61-31)39-49-45(12,21-62-39)43-50-44(11,20-63-43)42(57)48-32(22(4)15-2)35(53)27(9)40(55)59-36(23(5)16-3)38(54)47-33(28(10)51)41(56)60-37/h19,22-28,30,32-37,51-53H,14-18,20-21H2,1-13H3,(H,47,54)(H,48,57)/t22-,23-,24+,25-,26-,27+,28+,30-,32-,33-,34-,35-,36?,37-,44+,45+/m0/s1 |
| SMILES | CCC[C@@H](C)[C@@H]([C@H](C)[C@@H]1[C@H]([C@H](CC2=NC(=CS2)C3=N[C@](CS3)(C4=N[C@](CS4)(C(=O)N[C@H]([C@H]([C@H](C(=O)OC(C(=O)N[C@H](C(=O)O1)[C@@H](C)O)[C@@H](C)CC)C)O)[C@@H](C)CC)C)C)OC)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Choi, Hyukjae; Pereira, Alban R.; Cao, Zhengyu; Shuman, Cynthia F.; Engene, Niclas; Byrum, Tara; Matainaho, Teatulohi; Murray, Thomas F.; Mangoni, Alfonso; Gerwick, William H. The Hoiamides, Structurally Intriguing Neurotoxic Lipopeptides from Papua New Guinea Marine Cyanobacteria Journal of Natural Products 2010 73 (8) 1411-1421. | ||
|---|---|---|---|
| DOI | 10.1021/np100468n | PMID | 20687534 |
