Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027767
PROPERTIES
| NPAID | NPA027767 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Laxaphycin B4 |
| FORMULA | C66H116N14O21 |
| MOLECULAR WEIGHT (Da) | 1441.7310 |
| ACCURATE MASS (Da) | 1440.8439 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Hormothamnion |
| ORIGIN SPECIES | enteromorphoides |
| InChIKey | NNKYQEVQQULDSP-VUOJQXDJSA-N |
| InChI | InChI=1S/C66H116N14O21/c1-15-17-18-19-20-21-37-27-44(86)73-45(31(5)6)59(94)77-49(53(88)33(9)10)61(96)70-39(24-25-81)56(91)76-48(52(87)32(7)8)62(97)71-40(22-23-43(67)85)65(100)79(14)51(34(11)16-2)64(99)78-50(54(89)55(68)90)63(98)75-47(36(13)83)66(101)80-29-38(84)28-42(80)58(93)72-41(26-30(3)4)57(92)74-46(35(12)82)60(95)69-37/h30-42,45-54,81-84,87-89H,15-29H2,1-14H3,(H2,67,85)(H2,68,90)(H,69,95)(H,70,96)(H,71,97)(H,72,93)(H,73,86)(H,74,92)(H,75,98)(H,76,91)(H,77,94)(H,78,99)/t34-,35+,36+,37+,38+,39-,40-,41+,42-,45-,46-,47-,48+,49+,50+,51-,52-,53-,54+/m0/s1 |
| SMILES | CCCCCCC[C@@H]1CC(=O)N[C@@H](C(C)C)C(=O)N[C@H]([C@@H](O)C(C)C)C(=O)N[C@@H](CCO)C(=O)N[C@H]([C@@H](O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N[C@H]([C@@H](O)C(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cai, Weijing; Matthew, Susan; Chen, Qi-Yin; Paul, Valerie J.; Luesch, Hendrik Discovery of new A- and B-type laxaphycins with synergistic anticancer activity Bioorganic and Medicinal Chemistry 2018 26 (9) 2310-2319. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmc.2018.03.022 | PMID | 29606488 |
