Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004722207 | Gold | 3 |
| CCMSLIB00004722208 | Gold | 3 |
| CCMSLIB00004722209 | Gold | 3 |
| CCMSLIB00004722210 | Gold | 3 |
| CCMSLIB00005885133 | Gold | 3 |
| CCMSLIB00005885140 | Gold | 3 |
| CCMSLIB00006126868 | Gold | 3 |
| CCMSLIB00006126984 | Gold | 3 |
COMPOUND NPA029853
PROPERTIES
| NPAID | NPA029853 |
|---|---|
| CLUSTER ID | 8771 |
| NODE ID | 5919 |
| NAME | Kurahyne |
| FORMULA | C47H78N6O7 |
| MOLECULAR WEIGHT (Da) | 839.1760 |
| ACCURATE MASS (Da) | 838.5932 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | sp. |
| InChIKey | LXNZOJGPYBTQHD-BTEYVOOESA-N |
| InChI | InChI=1S/C47H78N6O7/c1-16-20-21-22-25-34(11)42(55)50(14)40(32(9)17-2)46(59)51(15)41(33(10)18-3)45(58)48(12)38(30(5)6)44(57)49(13)39(31(7)8)47(60)53-29-24-27-36(53)43(56)52-28-23-26-35(52)37(54)19-4/h1,25,30-33,35-36,38-41H,17-24,26-29H2,2-15H3/b34-25+/t32-,33-,35-,36-,38-,39-,40-,41-/m0/s1 |
| SMILES | C#CCCC/C=C(\C)C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)CC)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)CC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Iwasaki A; Ohno O; Sumimoto S; Suda S; Suenaga K Kurahyne, an acetylene-containing lipopeptide from a marine cyanobacterial assemblage of Lyngbya sp. RSC Advances 2014 4 (25) 12840-12843. | ||
|---|---|---|---|
| DOI | 10.1039/c4ra00132j | PMID | - |
