Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033507
PROPERTIES
| NPAID | NPA033507 |
|---|---|
| CLUSTER ID | 7772 |
| NODE ID | 5298 |
| NAME | Chitinimide C |
| FORMULA | C53H77N13O14S2 |
| MOLECULAR WEIGHT (Da) | 1184.4100 |
| ACCURATE MASS (Da) | 1183.5154 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Chitinimonas |
| ORIGIN SPECIES | koreensis DSM 17726 |
| InChIKey | HDVZQRCXBXHORW-IAJMOZIHSA-N |
| InChI | InChI=1S/C53H77N13O14S2/c1-6-29(4)42(54)49(75)65-22-13-18-38(65)40(26-41(68)69)80-51(78)34(20-24-81-5)60-46(73)37-28-82-47(62-37)39-19-14-23-66(39)48(74)33(17-12-21-57-52(55)56)59-43(70)31(7-2)58-45(72)36(27-67)61-44(71)32(8-3)63-53(79)64-35(50(76)77)25-30-15-10-9-11-16-30/h7-11,15-16,28-29,33-36,38-40,42,67H,6,12-14,17-27,54H2,1-5H3,(H,58,72)(H,59,70)(H,60,73)(H,61,71)(H,68,69)(H,76,77)(H4,55,56,57)(H2,63,64,79)/t29-,33-,34-,35-,36-,38-,39-,40-,42-/m0/s1 |
| SMILES | CC=C(NC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)C(=O)N[C@@H](CO)C(=O)NC(=CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C1=NC(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 |
