Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005885136 | Gold | 3 |
| CCMSLIB00005885142 | Gold | 3 |
COMPOUND NPA025489
PROPERTIES
| NPAID | NPA025489 |
|---|---|
| CLUSTER ID | 613 |
| NODE ID | 546 |
| NAME | Mabuniamide |
| FORMULA | C58H87N9O11 |
| MOLECULAR WEIGHT (Da) | 1086.3860 |
| ACCURATE MASS (Da) | 1085.6525 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Okeania |
| ORIGIN SPECIES | sp. |
| InChIKey | BUBPCYJNLILLLQ-KZHFVTEZSA-N |
| InChI | InChI=1S/C58H87N9O11/c1-14-23-47(68)62(9)39(8)54(73)66-30-21-28-43(66)56(75)64(11)45(33-40-24-17-15-18-25-40)51(70)60-42(32-36(2)3)55(74)65(12)50(38(6)7)53(72)61-49(37(4)5)52(71)59-35-48(69)63(10)46(34-41-26-19-16-20-27-41)57(76)67-31-22-29-44(67)58(77)78-13/h15-20,24-27,36-39,42-46,49-50H,14,21-23,28-35H2,1-13H3,(H,59,71)(H,60,70)(H,61,72)/t39-,42-,43-,44-,45-,46+,49-,50+/m0/s1 |
| SMILES | CCCC(=O)N(C)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N(C)[C@H](CC3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ozaki K; Iwasaki A; Sezawa D; Fujimura H; Nozaki T; Saito-Nakano Y; Suenaga K; Teruya T Isolation and Total Synthesis of Mabuniamide, a Lipopeptide from an Okeania sp. Marine Cyanobacterium. Journal of Natural Products 2019 82 (10) 2907-2915. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.9b00749 | PMID | 31549837 |
