Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033512
PROPERTIES
| NPAID | NPA033512 |
|---|---|
| CLUSTER ID | 7772 |
| NODE ID | 5298 |
| NAME | Chitinimide H |
| FORMULA | C62H93N15O19S2 |
| MOLECULAR WEIGHT (Da) | 1416.6460 |
| ACCURATE MASS (Da) | 1415.6214 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Chitinimonas |
| ORIGIN SPECIES | koreensis DSM 17726 |
| InChIKey | IKDJBGLWLLRQDV-TYMDWTSZSA-N |
| InChI | InChI=1S/C62H93N15O19S2/c1-8-32(5)49(63)58(90)77-44(21-22-47(77)95-33(6)80)46(28-48(81)82)96-60(93)39(23-26-97-7)70-55(88)43-31-98-56(73-43)45-20-16-25-76(45)57(89)38(19-15-24-66-61(64)65)69-50(83)35(9-2)67-53(86)41(29-78)71-51(84)36(10-3)68-54(87)42(30-79)72-52(85)37(11-4)74-62(94)75-40(59(91)92)27-34-17-13-12-14-18-34/h9-14,17-18,32,38-47,49,56,73,78-79H,8,15-16,19-31,63H2,1-7H3,(H,67,86)(H,68,87)(H,69,83)(H,70,88)(H,71,84)(H,72,85)(H,81,82)(H,91,92)(H4,64,65,66)(H2,74,75,94)/b35-9-,36-10-,37-11-/t32-,38-,39-,40-,41-,42-,43?,44-,45-,46-,47+,49-,56-/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]2CC[C@@H](OC(C)=O)N2C(=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 |
