Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA026739
PROPERTIES
| NPAID | NPA026739 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Atratumycin |
| FORMULA | C68H84N12O16 |
| MOLECULAR WEIGHT (Da) | 1325.4880 |
| ACCURATE MASS (Da) | 1324.6128 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | atratus SCSIO ZH16 |
| InChIKey | UFPVKIKINBECRQ-CNSCIBEJSA-N |
| InChI | InChI=1S/C68H84N12O16/c1-36(2)29-47-60(87)75-50(30-40-22-25-44(82)26-23-40)68(95)96-39(6)57(77-54(84)27-24-41-16-11-10-15-38(41)5)66(93)76-51(35-81)63(90)73-48(31-43-33-70-46-20-13-12-19-45(43)46)61(88)74-49(32-53(69)83)62(89)79-58(59(86)42-17-8-7-9-18-42)67(94)80-28-14-21-52(80)64(91)78-56(37(3)4)65(92)71-34-55(85)72-47/h7-13,15-20,22-27,33,36-37,39,47-52,56-59,70,81-82,86H,14,21,28-32,34-35H2,1-6H3,(H2,69,83)(H,71,92)(H,72,85)(H,73,90)(H,74,88)(H,75,87)(H,76,93)(H,77,84)(H,78,91)(H,79,89)/b27-24+/t39-,47-,48+,49-,50-,51+,52+,56-,57+,58+,59+/m1/s1 |
| SMILES | CC1=CC=CC=C1/C=C/C(=O)N[C@@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H]([C@@H](O)C2=CC=CC=C2)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(C)C)C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC2=CC=C(O)C=C2)C(=O)O[C@@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sun, Changli; Yang, Zhijie; Zhang, Chunyan; Liu, Zhiyong; He, Jianqiao; Liu, Qing; Zhang, Tianyu; Ju, Jianhua; Ma, Junying Genome Mining of Streptomyces atratus SCSIO ZH16: Discovery of Atratumycin and Identification of Its Biosynthetic Gene Cluster Organic Letters 2019 21 (5) 1453-1457. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.9b00208 | PMID | 30746943 |
