Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000839294 | Bronze | Lomaiviticin&E |
COMPOUND NPA006818
PROPERTIES
| NPAID | NPA006818 |
|---|---|
| CLUSTER ID | 3112 |
| NODE ID | 2375 |
| NAME | Lomaiviticin A |
| FORMULA | C68H80N6O24 |
| MOLECULAR WEIGHT (Da) | 1365.4060 |
| ACCURATE MASS (Da) | 1364.5224 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Micromonospora |
| ORIGIN SPECIES | lomaivitiensis |
| InChIKey | IGTJAVXLXLMFRG-JGBUZTLDSA-N |
| InChI | InChI=1S/C68H80N6O24/c1-13-67(97-37-21-33(89-11)57(81)25(5)93-37)51(63(87)45-43-47(61(85)41-29(77)17-15-27(75)39(41)59(43)83)53(71-69)49(45)65(67)95-35-19-31(79)55(73(7)8)23(3)91-35)52-64(88)46-44-48(62(86)42-30(78)18-16-28(76)40(42)60(44)84)54(72-70)50(46)66(96-36-20-32(80)56(74(9)10)24(4)92-36)68(52,14-2)98-38-22-34(90-12)58(82)26(6)94-38/h15-18,23-26,31-38,51-52,55-58,65-66,79-86H,13-14,19-22H2,1-12H3/t23?,24?,25?,26?,31?,32?,33?,34?,35-,36?,37?,38?,51-,52-,55+,56?,57?,58?,65+,66+,67-,68-/m0/s1 |
| SMILES | CC[C@@]1([C@H](C(=O)C2=C([C@H]1O[C@H]3CC([C@@H](C(O3)C)N(C)C)O)C(=[N+]=[N-])C4=C2C(=C5C(=O)C=CC(=O)C5=C4O)O)[C@H]6C(=O)C7=C([C@H]([C@@]6(CC)OC8CC(C(C(O8)C)O)OC)OC9CC(C(C(O9)C)N(C)C)O)C(=[N+]=[N-])C1=C7C(=C2C(=O)C=CC(=O)C2=C1O)O)OC1CC(C(C(O1)C)O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | He, H; Ding, W D; Bernan, V S; Richardson, A D; Ireland, C M; Greenstein, M; Ellestad, G A; Carter, G T Lomaiviticins A and B, potent antitumor antibiotics from Micromonospora lomaivitiensis. Journal of the American Chemical Society 2001 123 (22) 5362-5363. | ||
|---|---|---|---|
| DOI | 10.1021/ja010129o | PMID | 11457405 |
