Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011907
PROPERTIES
| NPAID | NPA011907 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Tychonamide A |
| FORMULA | C73H107N13O20 |
| MOLECULAR WEIGHT (Da) | 1486.7300 |
| ACCURATE MASS (Da) | 1485.7755 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Tychonema |
| ORIGIN SPECIES | sp. |
| InChIKey | ODQWSGPULNHBGL-MCIOLPHXSA-N |
| InChI | InChI=1S/C73H107N13O20/c1-10-41(5)60-68(99)80-53(39-87)65(96)76-49(11-2)64(95)82-61(42(6)88)69(100)78-51(28-25-44-23-26-47(105-9)27-24-44)71(102)85-32-15-20-54(85)66(97)79-52(37-48(36-46(90)35-45-18-13-12-14-19-45)106-73(104)57(34-40(3)4)83(8)43(7)89)62(93)70(101)77-50(29-30-58(74)91)63(94)75-38-59(92)84-31-17-22-56(84)72(103)86-33-16-21-55(86)67(98)81-60/h11-14,18-19,23-24,26-27,40-42,46,48,50-57,60-62,87-88,90,93H,10,15-17,20-22,25,28-39H2,1-9H3,(H2,74,91)(H,75,94)(H,76,96)(H,77,101)(H,78,100)(H,79,97)(H,80,99)(H,81,98)(H,82,95)/b49-11+/t41-,42+,46?,48?,50+,51+,52?,53-,54-,55-,56-,57-,60+,61-,62?/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(CC5=CC=CC=C5)O)OC(=O)[C@H](CC(C)C)N(C)C(=O)C)CCC6=CC=C(C=C6)OC)[C@@H](C)O)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Mehner, Christian; Müller, Daniela; Krick, Anja; Kehraus, Stefan; Löser, Reik; Gütschow, Michael; Maier, Armin; Fiebig, Heinz-Herbert; Brun, Reto; König, Gabriele M. A Novel β-Amino Acid in Cytotoxic Peptides from the Cyanobacterium Tychonema sp European Journal of Organic Chemistry 2008 2008 (10) 1732-1739. | ||
|---|---|---|---|
| DOI | 10.1002/ejoc.200701033 | PMID | 25855820 |
