Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA026767
PROPERTIES
| NPAID | NPA026767 |
|---|---|
| CLUSTER ID | 8093 |
| NODE ID | 141 |
| NAME | Atrovimycin B |
| FORMULA | C65H90N10O19 |
| MOLECULAR WEIGHT (Da) | 1315.4860 |
| ACCURATE MASS (Da) | 1314.6384 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | atrovirens LQ13 |
| InChIKey | AJONXZFZDFVVSK-PWTPVSHKSA-N |
| InChI | InChI=1S/C65H90N10O19/c1-10-16-49(81)55(83)42-20-15-14-19-39(42)23-26-50(82)72-53-37(9)94-65(93)45(28-34(4)5)68-61(89)51(35(6)7)73-64(92)54(40-21-24-41(80)25-22-40)75-60(88)48(32-78)70-62(90)52(36(8)79)74-59(87)47(31-77)69-57(85)44(29-38-17-12-11-13-18-38)67-56(84)43(27-33(2)3)66-58(86)46(30-76)71-63(53)91/h10-26,33-37,43-49,51-55,76-81,83H,27-32H2,1-9H3,(H,66,86)(H,67,84)(H,68,89)(H,69,85)(H,70,90)(H,71,91)(H,72,82)(H,73,92)(H,74,87)(H,75,88)/b16-10+,26-23+/t36-,37+,43-,44+,45-,46+,47+,48-,49+,51+,52-,53+,54-,55-/m1/s1 |
| SMILES | C/C=C/[C@H](O)[C@H](O)C1=CC=CC=C1/C=C/C(=O)N[C@@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](CO)C(=O)N[C@H](C2=CC=C(O)C=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)O[C@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu, Qing; Liu, Zhiyong; Sun, Changli; Shao, Mingwei; Ma, Junying; Wei, Xiaoyi; Zhang, Tianyu; Li, Wenjun; Ju, Jianhua Discovery and Biosynthesis of Atrovimycin, an Antitubercular and Antifungal Cyclodepsipeptide Featuring Vicinal-dihydroxylated Cinnamic Acyl Chain Organic Letters 2019 21 (8) 2634-2638. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.9b00618 | PMID | 30958008 |
