Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013331
PROPERTIES
| NPAID | NPA013331 |
|---|---|
| CLUSTER ID | 920 |
| NODE ID | 141 |
| NAME | Aspartocin D |
| FORMULA | C57H89N13O20 |
| MOLECULAR WEIGHT (Da) | 1276.4100 |
| ACCURATE MASS (Da) | 1275.6347 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | canus strain FIM-0916 |
| InChIKey | YHIXQCPAIOGTGT-JBGAKSTFSA-N |
| InChI | InChI=1S/C57H89N13O20/c1-28(2)17-12-10-8-9-11-13-20-38(71)62-35(25-43(78)79)50(82)68-47-32(7)61-51(83)37-19-16-22-70(37)55(87)44(29(3)4)66-54(86)46(31(6)58)65-40(73)27-60-48(80)33(23-41(74)75)63-39(72)26-59-49(81)34(24-42(76)77)64-53(85)45(30(5)57(89)90)67-52(84)36-18-14-15-21-69(36)56(47)88/h11,13,28-37,44-47H,8-10,12,14-27,58H2,1-7H3,(H,59,81)(H,60,80)(H,61,83)(H,62,71)(H,63,72)(H,64,85)(H,65,73)(H,66,86)(H,67,84)(H,68,82)(H,74,75)(H,76,77)(H,78,79)(H,89,90)/t30?,31?,32?,33-,34-,35-,36+,37-,44-,45-,46+,47-/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=CCCCCCC(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 |
