Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021537
PROPERTIES
| NPAID | NPA021537 |
|---|---|
| CLUSTER ID | 6684 |
| NODE ID | 4634 |
| NAME | Hangtaimycin |
| FORMULA | C50H61N7O11 |
| MOLECULAR WEIGHT (Da) | 936.0760 |
| ACCURATE MASS (Da) | 935.4429 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | spectabilis CPCC 200148 |
| InChIKey | LGOZWCQQHDTENY-UPMAUOPDSA-N |
| InChI | InChI=1S/C50H61N7O11/c1-9-11-15-23-41(58)52-31(4)25-30(3)45(61)55-47(63)40-26-34(27-43(60)68-40)20-16-13-12-14-17-24-42(59)53-32(5)46(62)54-44(33(6)67-8)50(66)57-38(10-2)48(64)56(7)39(49(57)65)28-35-29-51-37-22-19-18-21-36(35)37/h9-12,14-15,17-19,21-25,27,29,31,33,39-40,44,47,51,63H,5,13,16,20,26,28H2,1-4,6-8H3,(H,52,58)(H,53,59)(H,54,62)(H,55,61)/b11-9+,14-12+,23-15-,24-17+,30-25+,38-10-/t31?,33?,39-,40?,44?,47?/m1/s1 |
| SMILES | C=C(NC(=O)/C=C/C=C/CCCC1=CC(=O)OC(C(O)NC(=O)/C(C)=C/C(C)NC(=O)/C=C\C=C\C)C1)C(=O)NC(C(=O)N1C(=O)[C@@H](CC2=CNC3=CC=CC=C23)N(C)C(=O)/C1=C/C)C(C)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zuo, Lijie; Jiang, Bingya; Jiang, Zhibo; Zhao, Wei; Li, Shufen; Liu, Hongyu; Hong, Bin; Yu, Liyan; Zuo, Limin; Wu, Linzhuan Hangtaimycin, a peptide secondary metabolite discovered from Streptomyces spectabilis CPCC 200148 by chemical screening Journal of Antibiotics 2016 69 (11) 835-838. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2016.29 | PMID | 26956796 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C/C=C/C=C\C(=O)NC(C)C=C(C)C(=O)NC(C1CC(=CC(=O)O1)CCC/C=C/C=C\C(=O)NC(=C)C(=O)NC(C(C)OC)C(=O)N2/C(=C\C)/C(=O)N([C@@H](C2=O)CC3=CNC4=CC=CC=C43)C)O | Zuo, Lijie; Jiang, Bingya; Jiang, Zhibo; Zhao, Wei; Li, Shufen; Liu, Hongyu; Hong, Bin; Yu, Liyan; Zuo, Limin; Wu, Linzhuan Hangtaimycin, a peptide secondary metabolite discovered from Streptomyces spectabilis CPCC 200148 by chemical screening Journal of Antibiotics 2016 69 (11) 835-838. DOI: 10.1038/ja.2016.29 PMID: 26956796 | ||
| 2 | C=C(NC(=O)/C=C/C=C/CCCC1=CC(=O)OC(C(O)NC(=O)/C(C)=C/C(C)NC(=O)/C=C\C=C\C)C1)C(=O)NC(C(=O)N1C(=O)[C@@H](CC2=CNC3=CC=CC=C23)N(C)C(=O)/C1=C/C)C(C)OC | Luo, Minghe; Xu, Houchao; Dong, Yulu; Shen, Kun; Lu, Junlei; Yin, Zhiyong; Qi, Miaomiao; Sun, Guo; Tang, Lingjie; Xiang, Jin; Deng, Zixin; Dickschat, Jeroen S; Sun, Yuhui The Mechanism of Dehydrating Bimodules in trans-Acyltransferase Polyketide Biosynthesis: A Showcase Study on Hepatoprotective Hangtaimycin. Angewandte Chemie International Edition 2021 60 (35) 19139-19143. DOI: 10.1002/anie.202106250 PMID: 34219345 | ||
