Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016054
PROPERTIES
| NPAID | NPA016054 |
|---|---|
| CLUSTER ID | 5528 |
| NODE ID | 3920 |
| NAME | Cystargamide |
| FORMULA | C49H59N7O13 |
| MOLECULAR WEIGHT (Da) | 954.0470 |
| ACCURATE MASS (Da) | 953.4171 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Kitasatospora |
| ORIGIN SPECIES | cystarginea |
| InChIKey | DMHJDKJBUGFFAY-XWILHKPASA-N |
| InChI | InChI=1S/C49H59N7O13/c1-3-4-5-6-10-13-38-43(69-38)49(67)55-41-27(2)68-40(61)26-51-47(65)42(29-14-16-31(57)17-15-29)56-46(64)37(23-30-25-50-34-19-18-32(58)24-33(30)34)53-44(62)35(20-21-39(59)60)52-45(63)36(54-48(41)66)22-28-11-8-7-9-12-28/h7-9,11-12,14-19,24-25,27,35-38,41-43,50,57-58H,3-6,10,13,20-23,26H2,1-2H3,(H,51,65)(H,52,63)(H,53,62)(H,54,66)(H,55,67)(H,56,64)(H,59,60)/t27-,35+,36+,37+,38?,41+,42+,43?/m1/s1 |
| SMILES | CCCCCCCC1C(O1)C(=O)N[C@H]2[C@H](OC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC3=CC=CC=C3)CCC(=O)O)CC4=CNC5=C4C=C(C=C5)O)C6=CC=C(C=C6)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gill, Krista A.; Berrué, Fabrice; Arens, Jennifer C.; Kerr, Russell G. Isolation and structure elucidation of cystargamide, a lipopeptide from Kitasatospora cystarginea Journal of Natural Products 2014 77 (6) 1372-1376. | ||
|---|---|---|---|
| DOI | 10.1021/np500122s | PMID | 24927492 |
