Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020256
PROPERTIES
| NPAID | NPA020256 |
|---|---|
| CLUSTER ID | 6420 |
| NODE ID | 141 |
| NAME | Kolossin A |
| FORMULA | C80H136N15O20 |
| MOLECULAR WEIGHT (Da) | 1628.0530 |
| ACCURATE MASS (Da) | 1627.0086 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Photorhabdus |
| ORIGIN SPECIES | luminescens |
| InChIKey | ZAPPZLPCBZYMIJ-HBMHPLBUSA-N |
| InChI | InChI=1S/C80H137N15O20/c1-37(2)29-52(81-36-97)67(101)82-48(23)66(100)83-53(30-38(3)4)69(103)89-59(42(11)12)74(108)87-57(34-50-25-27-51(99)28-26-50)68(102)84-54(31-39(5)6)70(104)92-63(46(19)20)78(112)95-65(49(24)98)79(113)93-61(44(15)16)75(109)86-56(33-41(9)10)72(106)90-60(43(13)14)76(110)88-58(35-96)73(107)85-55(32-40(7)8)71(105)91-62(45(17)18)77(111)94-64(47(21)22)80(114)115/h25-28,36-49,52-65,96,98-99H,29-35H2,1-24H3,(H,81,97)(H,82,101)(H,83,100)(H,84,102)(H,85,107)(H,86,109)(H,87,108)(H,88,110)(H,89,103)(H,90,106)(H,91,105)(H,92,104)(H,93,113)(H,94,111)(H,95,112)(H,114,115)/t48-,49+,52+,53+,54-,55-,56+,57+,58+,59-,60-,61-,62+,63+,64-,65+/m0/s1 |
| SMILES | C[C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)NC=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bode, Helge B.; Brachmann, Alexander O.; Jadhav, Kirtikumar B.; Seyfarth, Lydia; Dauth, Christina; Fuchs, Sebastian W.; Kaiser, Marcel; Waterfield, Nick R.; Sack, Holger; Heinemann, Stefan H.; Arndt, Hans-Dieter Structure Elucidation and Activity of Kolossin A, the D -/ L -Pentadecapeptide Product of a Giant Nonribosomal Peptide Synthetase Angewandte Chemie International Edition 2015 54 (35) 10352-10355. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201502835 | PMID | 26118790 |
