Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011140
PROPERTIES
| NPAID | NPA011140 |
|---|---|
| CLUSTER ID | 694 |
| NODE ID | 612 |
| NAME | Apratoxin C |
| FORMULA | C44H67N5O8S |
| MOLECULAR WEIGHT (Da) | 826.1140 |
| ACCURATE MASS (Da) | 825.4710 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | sp. |
| InChIKey | OIRVOJCFIYCVDL-PRNZABJESA-N |
| InChI | InChI=1S/C44H67N5O8S/c1-12-27(5)38-43(54)49-19-13-14-35(49)44(55)57-37(25(2)3)21-26(4)20-36(50)29(7)40-45-32(24-58-40)22-28(6)39(51)46-34(23-31-15-17-33(56-11)18-16-31)42(53)47(9)30(8)41(52)48(38)10/h15-18,22,25-27,29-30,32,34-38,50H,12-14,19-21,23-24H2,1-11H3,(H,46,51)/b28-22-/t26-,27-,29-,30-,32-,34-,35?,36-,37-,38-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N2CCCC2C(=O)O[C@@H](C[C@H](C[C@@H]([C@@H](C3=N[C@H](CS3)/C=C(\C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)C)C)CC4=CC=C(C=C4)OC)/C)C)O)C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Luesch, Hendrik; Yoshida, Wesley Y; Moore, Richard E; Paul, Valerie J New apratoxins of marine cyanobacterial origin from Guam and Palau Bioorganic and Medicinal Chemistry 2002 10 (6) 1973-1978. | ||
|---|---|---|---|
| DOI | 10.1016/s0968-0896(02)00014-7 | PMID | 11937357 |
SYNTHESES
| CITATION 1 | Masuda Y; Suzuki J; Onda Y; Fujino Y; Yoshida M; Doi T Total synthesis and conformational analysis of apratoxin C. Journal of Organic Chemistry 2014 79 (17) 8000-9. DOI: 10.1021/jo501130b PMID: 25093538 | ||
|---|---|---|---|
