Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA029724
PROPERTIES
| NPAID | NPA029724 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Ilamycin R |
| FORMULA | C55H77N9O10 |
| MOLECULAR WEIGHT (Da) | 1024.2740 |
| ACCURATE MASS (Da) | 1023.5793 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | atratus SCSIO ZH16 ΔilaR |
| InChIKey | RKDWMOUDQQGHSJ-JBJJYNOUSA-N |
| InChI | InChI=1S/C55H77N9O10/c1-14-16-23-40-47(65)59-42(30-37-31-62(55(9,10)15-2)43-24-18-17-22-39(37)43)52(70)60(11)44(25-32(3)4)49(67)58-41(29-36-20-19-21-38(28-36)64(72)73)48(66)56-35(8)51(69)61(12)46-27-34(7)54(74-13)63(53(46)71)45(26-33(5)6)50(68)57-40/h14-22,24,28,31-35,40-42,44-46,54H,2,23,25-27,29-30H2,1,3-13H3,(H,56,66)(H,57,68)(H,58,67)(H,59,65)/t34-,35-,40-,41-,42-,44-,45-,46-,54+/m0/s1 |
| SMILES | C=CC(C)(C)N1C=C(C[C@@H]2NC(=O)[C@H](CC=CC)NC(=O)[C@H](CC(C)C)N3C(=O)[C@H](C[C@H](C)[C@H]3OC)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC3=CC([N+](=O)[O-])=CC=C3)NC(=O)[C@H](CC(C)C)N(C)C2=O)C2=CC=CC=C21 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fan, Zhiying; Huang, Xuanmei; Ju, Jianhua; Liu, Zhiyong; Ma, Junying; Qin, Xiangjing; Sun, Changli; Wu, Qiaoling; Zhang, Hua; Zhang, Tianyu; Zheng, Xiaohong; Zhu, Xiangcheng Antitubercular Ilamycins from Marine-Derived Streptomyces atratus SCSIO ZH16 Δ ilaR Journal of Natural Products 2020 83 (5) 1646-1657. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.0c00151 | PMID | 32324401 |
