Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000864
PROPERTIES
| NPAID | NPA000864 |
|---|---|
| CLUSTER ID | 610 |
| NODE ID | 543 |
| NAME | JBIR-95 |
| FORMULA | C39H55N7O13S |
| MOLECULAR WEIGHT (Da) | 861.9720 |
| ACCURATE MASS (Da) | 861.3579 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Kibdelosporangium |
| ORIGIN SPECIES | sp. AK-AA56 |
| InChIKey | LDYZAOFAJYXPFY-LVIJEMCTSA-N |
| InChI | InChI=1S/C39H55N7O13S/c1-21(2)31(45-29(47)18-26-15-11-8-12-16-26)38(54)44-28(20-60(57,58)59)36(52)42-24(6)35(51)46-32(33(49)22(3)4)37(53)40-19-30(48)41-23(5)34(50)43-27(39(55)56)17-25-13-9-7-10-14-25/h7-16,21-24,27-28,31-33,49H,17-20H2,1-6H3,(H,40,53)(H,41,48)(H,42,52)(H,43,50)(H,44,54)(H,45,47)(H,46,51)(H,55,56)(H,57,58,59)/t23-,24+,27+,28-,31+,32-,33+/m1/s1 |
| SMILES | C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)CNC(=O)[C@@H]([C@H](C(C)C)O)NC(=O)[C@H](C)NC(=O)[C@@H](CS(=O)(=O)O)NC(=O)[C@H](C(C)C)NC(=O)CC2=CC=CC=C2 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Izumikawa, Miho; Takagi, Motoki; Shin-Ya, Kazuo JBIR-78 and JBIR-95: Phenylacetylated peptides isolated from Kibdelosporangium sp. AK-AA56 Journal of Natural Products 2012 75 (2) 280-284. | ||
|---|---|---|---|
| DOI | 10.1021/np2008279 | PMID | 22264203 |
