Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006138
PROPERTIES
| NPAID | NPA006138 |
|---|---|
| CLUSTER ID | 610 |
| NODE ID | 543 |
| NAME | JBIR-78 |
| FORMULA | C40H55N7O12 |
| MOLECULAR WEIGHT (Da) | 825.9170 |
| ACCURATE MASS (Da) | 825.3909 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Kibdelosporangium |
| ORIGIN SPECIES | sp. AK-AA56 |
| InChIKey | AYHQEXAHORNEMG-CGBMOQSMSA-N |
| InChI | InChI=1S/C40H55N7O12/c1-21(2)32(46-29(48)18-26-15-11-8-12-16-26)39(57)44-27(19-31(50)51)37(55)43-24(6)36(54)47-33(34(52)22(3)4)38(56)41-20-30(49)42-23(5)35(53)45-28(40(58)59)17-25-13-9-7-10-14-25/h7-16,21-24,27-28,32-34,52H,17-20H2,1-6H3,(H,41,56)(H,42,49)(H,43,55)(H,44,57)(H,45,53)(H,46,48)(H,47,54)(H,50,51)(H,58,59)/t23-,24+,27-,28+,32+,33-,34+/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](CC(=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 |
