Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA026766
PROPERTIES
| NPAID | NPA026766 |
|---|---|
| CLUSTER ID | 8093 |
| NODE ID | 141 |
| NAME | Atrovimycin |
| FORMULA | C65H90N10O20 |
| MOLECULAR WEIGHT (Da) | 1331.4850 |
| ACCURATE MASS (Da) | 1330.6333 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | atrovirens LQ13 |
| InChIKey | TZSMAOIVOPIADO-ZNXQRINOSA-N |
| InChI | InChI=1S/C65H90N10O20/c1-10-16-47(81)55(84)41-20-15-14-17-37(41)23-26-48(82)71-51-36(9)95-65(94)43(28-33(4)5)67-60(89)49(34(6)7)72-63(92)52(38-21-24-40(80)25-22-38)74-59(88)46(31-78)68-61(90)50(35(8)79)73-58(87)45(30-77)70-64(93)53(54(83)39-18-12-11-13-19-39)75-56(85)42(27-32(2)3)66-57(86)44(29-76)69-62(51)91/h10-26,32-36,42-47,49-55,76-81,83-84H,27-31H2,1-9H3,(H,66,86)(H,67,89)(H,68,90)(H,69,91)(H,70,93)(H,71,82)(H,72,92)(H,73,87)(H,74,88)(H,75,85)/b16-10+,26-23+/t35-,36+,42-,43-,44+,45+,46-,47+,49+,50-,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]([C@H](O)C2=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 |
