Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA035599
PROPERTIES
| NPAID | NPA035599 |
|---|---|
| CLUSTER ID | 613 |
| NODE ID | 546 |
| NAME | Komesuamide |
| FORMULA | C57H84N8O10 |
| MOLECULAR WEIGHT (Da) | 1041.3450 |
| ACCURATE MASS (Da) | 1040.6310 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Caldora |
| ORIGIN SPECIES | penicillata |
| InChIKey | XKVNYOKMYCAMFW-LCJUJXODSA-N |
| InChI | InChI=1S/C57H84N8O10/c1-11-13-23-39(6)52(69)63-31-21-29-43(63)54(71)64-32-20-28-42(64)53(70)61(8)45(34-40-24-16-14-17-25-40)50(67)59-48(37(3)4)56(73)62(9)49(38(5)12-2)51(68)58-36-47(66)60(7)46(35-41-26-18-15-19-27-41)55(72)65-33-22-30-44(65)57(74)75-10/h14-19,24-27,37-39,42-46,48-49H,11-13,20-23,28-36H2,1-10H3,(H,58,68)(H,59,67)/t38-,39-,42-,43+,44-,45-,46+,48-,49-/m0/s1 |
| SMILES | CCCC[C@H](C)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)NCC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)OC)[C@@H](C)CC)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ozaki, Kaori; Jinno, Atsuhide; Natsume, Noriyuki; Sumimoto, Shimpei; Iwasaki, Arihiro; Suenaga, Kiyotake; Teruya, Toshiaki Komesuamide and odopenicillatamide, two linear lipopeptides from the marine cyanobacterium Caldora penicillata Tetrahedron 2021 85 131969. | ||
|---|---|---|---|
| DOI | 10.1016/j.tet.2021.131969 | PMID | - |
