Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004613
PROPERTIES
| NPAID | NPA004613 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Tychonamide B |
| FORMULA | C72H105N13O19 |
| MOLECULAR WEIGHT (Da) | 1456.7040 |
| ACCURATE MASS (Da) | 1455.7650 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Tychonema |
| ORIGIN SPECIES | sp. |
| InChIKey | MTUBMTPWQGVXCG-QVEHMFRJSA-N |
| InChI | InChI=1S/C72H105N13O19/c1-9-41(5)59-67(98)79-52(39-86)64(95)75-48(10-2)63(94)81-60(42(6)87)68(99)77-50(28-27-44-20-13-11-14-21-44)70(101)84-32-17-24-53(84)65(96)78-51(37-47(36-46(89)35-45-22-15-12-16-23-45)104-72(103)56(34-40(3)4)82(8)43(7)88)61(92)69(100)76-49(29-30-57(73)90)62(93)74-38-58(91)83-31-19-26-55(83)71(102)85-33-18-25-54(85)66(97)80-59/h10-16,20-23,40-42,46-47,49-56,59-61,86-87,89,92H,9,17-19,24-39H2,1-8H3,(H2,73,90)(H,74,93)(H,75,95)(H,76,100)(H,77,99)(H,78,96)(H,79,98)(H,80,97)(H,81,94)/b48-10+/t41-,42+,46?,47?,49+,50+,51?,52-,53-,54+,55-,56-,59+,60-,61?/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=CC=C6)[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 |
