Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA029727
PROPERTIES
| NPAID | NPA029727 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Ilamycin I |
| FORMULA | C54H77N9O12 |
| MOLECULAR WEIGHT (Da) | 1044.2610 |
| ACCURATE MASS (Da) | 1043.5692 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | atratus SCSIO ZH16 ΔilaR |
| InChIKey | VUCWYSSAWBIAQA-UIYITKBESA-N |
| InChI | InChI=1S/C54H77N9O12/c1-12-14-18-38-47(67)59-41(27-36-28-62(54(8,9)13-2)42-19-16-15-17-37(36)42)53(73)61(11)44(23-32(5)6)50(70)58-40(24-34-20-21-46(66)43(25-34)63(74)75)48(68)55-33(7)52(72)60(10)45(26-35(29-64)30-65)51(71)57-39(22-31(3)4)49(69)56-38/h12-17,19-21,25,28,31-33,35,38-41,44-45,64-66H,2,18,22-24,26-27,29-30H2,1,3-11H3,(H,55,68)(H,56,69)(H,57,71)(H,58,70)(H,59,67)/t33-,38-,39-,40-,41-,44-,45-/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)NC(=O)[C@H](CC(CO)CO)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC3=CC([N+](=O)[O-])=C(O)C=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 |
