Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033918
PROPERTIES
| NPAID | NPA033918 |
|---|---|
| CLUSTER ID | 352 |
| NODE ID | 317 |
| NAME | Portobelamide A |
| FORMULA | C61H104N10O14 |
| MOLECULAR WEIGHT (Da) | 1201.5590 |
| ACCURATE MASS (Da) | 1200.7733 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Caldora |
| ORIGIN SPECIES | sp. |
| InChIKey | HLWUZSDGXDQYFA-MWPQZYGSSA-N |
| InChI | InChI=1S/C61H104N10O14/c1-23-24-25-27-41-39(14)61(82)85-50(38(12)13)54(75)65-46(34(4)5)59(80)68(18)45(32-84-22)51(72)64-47(35(6)7)60(81)71-29-26-28-43(71)57(78)67(17)44(30-33(2)3)58(79)70(20)49(37(10)11)53(74)63-42(31-83-21)56(77)66(16)40(15)55(76)69(19)48(36(8)9)52(73)62-41/h1,33-50H,24-32H2,2-22H3,(H,62,73)(H,63,74)(H,64,72)(H,65,75)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50+/m0/s1 |
| SMILES | C#CCCC[C@@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](COC)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](COC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Demirkiran, Ozlem; Almaliti, Jehad; Leão, Tiago; Navarro, Gabriel; Byrum, Tara; Valeriote, Frederick A; Gerwick, Lena; Gerwick, William H Portobelamides A and B and Caciqueamide, Cytotoxic Peptidic Natural Products from a Caldora sp. Marine Cyanobacterium. Journal of Natural Products 2021 84 (8) 2081-2093. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.0c01383 | PMID | 34269583 |
