Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014444
PROPERTIES
| NPAID | NPA014444 |
|---|---|
| CLUSTER ID | 920 |
| NODE ID | 141 |
| NAME | Aspartocin E |
| FORMULA | C56H87N13O20 |
| MOLECULAR WEIGHT (Da) | 1262.3830 |
| ACCURATE MASS (Da) | 1261.6190 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | canus strain FIM-0916 |
| InChIKey | RWKODFJGLUVNKT-FNKUNXQOSA-N |
| InChI | InChI=1S/C56H87N13O20/c1-27(2)16-11-9-8-10-12-19-37(70)61-34(24-42(77)78)49(81)67-46-31(7)60-50(82)36-18-15-21-69(36)54(86)43(28(3)4)65-53(85)45(30(6)57)64-39(72)26-59-47(79)32(22-40(73)74)62-38(71)25-58-48(80)33(23-41(75)76)63-52(84)44(29(5)56(88)89)66-51(83)35-17-13-14-20-68(35)55(46)87/h10,12,27-36,43-46H,8-9,11,13-26,57H2,1-7H3,(H,58,80)(H,59,79)(H,60,82)(H,61,70)(H,62,71)(H,63,84)(H,64,72)(H,65,85)(H,66,83)(H,67,81)(H,73,74)(H,75,76)(H,77,78)(H,88,89)/t29?,30?,31?,32-,33-,34-,35+,36-,43-,44-,45+,46-/m0/s1 |
| SMILES | CC1[C@@H](C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N1)C(C)C)C(C)N)CC(=O)O)CC(=O)O)C(C)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CC=CCCCCC(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yang, Huang-Jian; Huang, Xiao-Zhen; Zhang, Zhu-Lan; Wang, Chuan-Xi; Zhou, Jian; Huang, Kai; Zhou, Jing-Ming; Zheng, Wei Two novel amphomycin analogues from Streptomyces canus strain FIM-0916 Natural Product Research 2014 28 (12) 861-867. | ||
|---|---|---|---|
| DOI | 10.1080/14786419.2014.886210 | PMID | 24568288 |
