Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577675 | Gold | 3 |
COMPOUND NPA017954
PROPERTIES
| NPAID | NPA017954 |
|---|---|
| CLUSTER ID | 2800 |
| NODE ID | 2161 |
| NAME | Almiramide C |
| FORMULA | C40H66N6O6 |
| MOLECULAR WEIGHT (Da) | 727.0040 |
| ACCURATE MASS (Da) | 726.5044 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Cyanobacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | QYTBDYVUMOVEHG-CWXFOQKSSA-N |
| InChI | InChI=1S/C40H66N6O6/c1-14-15-16-18-21-28(8)37(49)46(13)34(27(6)7)40(52)45(12)33(26(4)5)36(48)42-32(25(2)3)39(51)43(10)29(9)38(50)44(11)31(35(41)47)24-30-22-19-17-20-23-30/h14,17,19-20,22-23,25-29,31-34H,1,15-16,18,21,24H2,2-13H3,(H2,41,47)(H,42,48)/t28-,29+,31+,32+,33+,34+/m1/s1 |
| SMILES | C[C@H](CCCCC=C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sanchez, Laura M; Lopez, Dioxelis; Vesely, Brian A; Della Togna, Gina; Gerwick, William H; Kyle, Dennis E; Linington, Roger G Almiramides A-C: discovery and development of a new class of leishmaniasis lead compounds Journal of Medicinal Chemistry 2010 53 (10) 4187-4197. | ||
|---|---|---|---|
| DOI | 10.1021/jm100265s | PMID | 20441198 |
