Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008789
PROPERTIES
| NPAID | NPA008789 |
|---|---|
| CLUSTER ID | 3112 |
| NODE ID | 2375 |
| NAME | Lomaiviticin E |
| FORMULA | C70H86N4O24 |
| MOLECULAR WEIGHT (Da) | 1367.4620 |
| ACCURATE MASS (Da) | 1366.5632 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Salinispora |
| ORIGIN SPECIES | pacifica strain DPJ-0019 |
| InChIKey | UUFARPZDPLRTPW-YHYZUSIDSA-N |
| InChI | InChI=1S/C70H86N4O24/c1-15-69(97-42-24-38(87-11)65(89-13)28(5)93-42)54(63(85)45-31(67(69)95-40-22-36(79)57(73(7)8)26(3)91-40)21-30-44(45)60(82)47-33(76)18-17-32(75)46(47)59(30)81)55-64(86)51-50-52(62(84)49-35(78)20-19-34(77)48(49)61(50)83)56(72-71)53(51)68(96-41-23-37(80)58(74(9)10)27(4)92-41)70(55,16-2)98-43-25-39(88-12)66(90-14)29(6)94-43/h17-21,26-29,36-43,54-55,57-58,65-68,79-85H,15-16,22-25H2,1-14H3/t26-,27-,28-,29-,36-,37-,38-,39-,40+,41+,42-,43-,54-,55-,57-,58-,65-,66-,67+,68+,69-,70-/m0/s1 |
| SMILES | CC[C@@]1([C@H](C(=C2C(=CC3=C2C(=C4C(=O)C=CC(=O)C4=C3O)O)[C@H]1O[C@@H]5C[C@@H]([C@H]([C@@H](O5)C)N(C)C)O)O)[C@H]6C(=O)C7=C([C@H]([C@@]6(CC)O[C@H]8C[C@@H]([C@H]([C@@H](O8)C)OC)OC)O[C@@H]9C[C@@H]([C@H]([C@@H](O9)C)N(C)C)O)C(=[N+]=[N-])C1=C7C(=C2C(=O)C=CC(=O)C2=C1O)O)O[C@H]1C[C@@H]([C@H]([C@@H](O1)C)OC)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Woo, Christina M; Beizer, Nina E; Janso, Jeffrey E; Herzon, Seth B Isolation of lomaiviticins C-E, transformation of lomaiviticin C to lomaiviticin A, complete structure elucidation of lomaiviticin A, and structure-activity analyses Journal of the American Chemical Society 2012 134 (37) 15285-15288. | ||
|---|---|---|---|
| DOI | 10.1021/ja3074984 | PMID | 22963534 |
