Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033508
PROPERTIES
| NPAID | NPA033508 |
|---|---|
| CLUSTER ID | 7772 |
| NODE ID | 5298 |
| NAME | Chitinimide D |
| FORMULA | C55H79N13O16S2 |
| MOLECULAR WEIGHT (Da) | 1242.4460 |
| ACCURATE MASS (Da) | 1241.5209 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Chitinimonas |
| ORIGIN SPECIES | koreensis DSM 17726 |
| InChIKey | APMFCROHCZQOAG-XFJXDZDHSA-N |
| InChI | InChI=1S/C55H79N13O16S2/c1-7-29(4)43(56)51(78)68-23-19-40(83-30(5)70)44(68)41(26-42(71)72)84-53(81)35(20-24-85-6)62-48(76)38-28-86-49(64-38)39-18-14-22-67(39)50(77)34(17-13-21-59-54(57)58)61-45(73)32(8-2)60-47(75)37(27-69)63-46(74)33(9-3)65-55(82)66-36(52(79)80)25-31-15-11-10-12-16-31/h8-12,15-16,28-29,34-37,39-41,43-44,69H,7,13-14,17-27,56H2,1-6H3,(H,60,75)(H,61,73)(H,62,76)(H,63,74)(H,71,72)(H,79,80)(H4,57,58,59)(H2,65,66,82)/t29-,34-,35-,36-,37-,39-,40+,41-,43-,44-/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]2[C@H](OC(C)=O)CCN2C(=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 |
