Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027196
PROPERTIES
| NPAID | NPA027196 |
|---|---|
| CLUSTER ID | 8230 |
| NODE ID | 5592 |
| NAME | Omnipeptin |
| FORMULA | C64H82ClN13O22 |
| MOLECULAR WEIGHT (Da) | 1420.8820 |
| ACCURATE MASS (Da) | 1419.5386 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | albus |
| InChIKey | TVZYKKNRWFVGID-XMQDSMCMSA-N |
| InChI | InChI=1S/C64H82ClN13O22/c1-27(2)46-58(92)71-41(19-31-9-7-6-8-10-31)62(96)78-24-28(3)51(85)50(78)64(99)100-26-43(57(91)76-47(29(4)53(67)87)59(93)70-40(55(89)75-46)20-33-23-68-39-21-34(65)13-16-36(33)39)73-60(94)48(30(5)80)77-54(88)38(17-18-45(83)84)69-56(90)42(25-79)72-61(95)49(74-44(82)22-37(66)63(97)98)52(86)32-11-14-35(81)15-12-32/h6-16,21,23,27-30,37-38,40-43,46-52,68,79-81,85-86H,17-20,22,24-26,66H2,1-5H3,(H2,67,87)(H,69,90)(H,70,93)(H,71,92)(H,72,95)(H,73,94)(H,74,82)(H,75,89)(H,76,91)(H,77,88)(H,83,84)(H,97,98)/t28?,29?,30?,37-,38+,40-,41-,42-,43-,46+,47-,48-,49-,50-,51?,52?/m0/s1 |
| SMILES | CC1CN2C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CC3=C[NH]C4=C3C=CC(Cl)=C4)NC(=O)[C@H](C(C)C(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C[C@H](N)C(=O)O)C(O)C3=CC=C(O)C=C3)C(C)O)COC(=O)[C@@H]2C1O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Libis, Vincent; Antonovsky, Niv; Zhang, Mengyin; Shang, Zhuo; Montiel, Daniel; Maniko, Jeffrey; Ternei, Melinda A.; Calle, Paula Y.; Lemetre, Christophe; Owen, Jeremy G.; Brady, Sean F. Uncovering the biosynthetic potential of rare metagenomic DNA using co-occurrence network analysis of targeted sequences Nature Communications 2019 10 (1) None. | ||
|---|---|---|---|
| DOI | 10.1038/s41467-019-11658-z | PMID | 31451725 |
