Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033511
PROPERTIES
| NPAID | NPA033511 |
|---|---|
| CLUSTER ID | 7772 |
| NODE ID | 5298 |
| NAME | Chitinimide G |
| FORMULA | C60H91N15O17S2 |
| MOLECULAR WEIGHT (Da) | 1358.6100 |
| ACCURATE MASS (Da) | 1357.6159 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Chitinimonas |
| ORIGIN SPECIES | koreensis DSM 17726 |
| InChIKey | QLXDGRDCJWBBHG-IBEURFIPSA-N |
| InChI | InChI=1S/C60H91N15O17S2/c1-7-32(5)47(61)56(87)74-24-15-20-43(74)45(28-46(78)79)92-58(90)38(22-26-93-6)68-53(85)42-31-94-54(71-42)44-21-16-25-75(44)55(86)37(19-14-23-64-59(62)63)67-48(80)34(8-2)65-51(83)40(29-76)69-49(81)35(9-3)66-52(84)41(30-77)70-50(82)36(10-4)72-60(91)73-39(57(88)89)27-33-17-12-11-13-18-33/h8-13,17-18,32,37-45,47,54,71,76-77H,7,14-16,19-31,61H2,1-6H3,(H,65,83)(H,66,84)(H,67,80)(H,68,85)(H,69,81)(H,70,82)(H,78,79)(H,88,89)(H4,62,63,64)(H2,72,73,91)/b34-8-,35-9-,36-10-/t32-,37-,38-,39-,40-,41-,42?,43-,44-,45-,47-,54-/m0/s1 |
| SMILES | C/C=C(\NC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)C(=O)N[C@@H](CO)C(=O)N/C(=C\C)C(=O)N[C@@H](CO)C(=O)N/C(=C\C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1[C@H]1NC(C(=O)N[C@@H](CCSC)C(=O)O[C@@H](CC(=O)O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@@H](C)CC)CS1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu, Jiaqi; Zhou, Haibo; Yang, Zhiyu; Wang, Xue; Chen, Hanna; Zhong, Lin; Zheng, Wentao; Niu, Weijing; Wang, Sen; Ren, Xiangmei; Zhong, Guannan; Wang, Yan; Ding, Xiaoming; Müller, Rolf; Zhang, Youming; Bian, Xiaoying Rational construction of genome-reduced Burkholderiales chassis facilitates efficient heterologous production of natural products from proteobacteria Nature Communications 2021 12 (1) 4347. | ||
|---|---|---|---|
| DOI | 10.1038/s41467-021-24645-0 | PMID | 34301933 |
