Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033919
PROPERTIES
| NPAID | NPA033919 |
|---|---|
| CLUSTER ID | 352 |
| NODE ID | 317 |
| NAME | Portobelamide B |
| FORMULA | C68H117N11O15 |
| MOLECULAR WEIGHT (Da) | 1328.7460 |
| ACCURATE MASS (Da) | 1327.8731 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Caldora |
| ORIGIN SPECIES | sp. |
| InChIKey | VRIISIYNWPTJHW-HRAYEEIUSA-N |
| InChI | InChI=1S/C68H117N11O15/c1-27-29-30-32-46-44(16)68(91)94-56(42(13)14)67(90)77(23)54(41(11)12)66(89)78(24)55(43(15)28-2)59(82)71-51(38(5)6)64(87)79-34-31-33-47(79)61(84)76(22)53(40(9)10)65(88)72(18)45(17)60(83)73(19)48(35-92-25)57(80)70-50(37(3)4)63(86)74(20)49(36-93-26)62(85)75(21)52(39(7)8)58(81)69-46/h1,37-56H,28-36H2,2-26H3,(H,69,81)(H,70,80)(H,71,82)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56+/m0/s1 |
| SMILES | C#CCCC[C@@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](COC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](COC)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](C(C)C)N(C)C(=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 |
