Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033473
PROPERTIES
| NPAID | NPA033473 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Kahalalide Y |
| FORMULA | C46H65N7O10 |
| MOLECULAR WEIGHT (Da) | 876.0650 |
| ACCURATE MASS (Da) | 875.4793 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Candidatus-Endobryopsis |
| ORIGIN SPECIES | kahalalidefaciens |
| InChIKey | LJNDDJVXTIZTOA-IBJPPFFWSA-N |
| InChI | InChI=1S/C46H65N7O10/c1-27(2)13-8-6-11-16-33-25-39(56)49-35(23-30-14-9-7-10-15-30)45(61)53-22-12-17-37(53)43(59)48-29(5)41(57)52-40(28(3)4)44(60)50-34(26-38(47)55)42(58)51-36(46(62)63-33)24-31-18-20-32(54)21-19-31/h7,9-10,14-15,18-21,27-29,33-37,40,54H,6,8,11-13,16-17,22-26H2,1-5H3,(H2,47,55)(H,48,59)(H,49,56)(H,50,60)(H,51,58)(H,52,57)/t29-,33?,34-,35-,36+,37+,40+/m1/s1 |
| SMILES | CC(C)CCCCCC1CC(=O)N[C@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)O1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zan, Jindong; Li, Zhiyuan; Diarey Tianero; Davis, Jeanette; Hill, Russell T.; Donia, Mohamed S. A microbial factory for defensive kahalalides in a tripartite marine symbiosis Science 2019 364 (6445) None. | ||
|---|---|---|---|
| DOI | 10.1126/science.aaw6732 | PMID | 31196985 |
