Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033270
PROPERTIES
| NPAID | NPA033270 |
|---|---|
| CLUSTER ID | 9584 |
| NODE ID | 6411 |
| NAME | Nocathioamide A |
| FORMULA | C54H74N16O15S4 |
| MOLECULAR WEIGHT (Da) | 1315.5510 |
| ACCURATE MASS (Da) | 1314.4402 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. |
| InChIKey | CODBWSAIQSAFCS-MYZGCEDNSA-N |
| InChI | InChI=1S/C54H74N16O15S4/c1-22(2)12-32-53(83)70-11-9-10-38(70)49(81)66-36-19-88-27(7)40(69-51(86)31(14-29-16-55-21-56-29)61-48(80)37-20-89-52(67-37)26(6)57-28(8)71)50(82)60-30-13-23(3)41(73)68-39(72)15-33(54(84)85)63-43(75)25(5)59-46(78)35(65-47(36)79)18-87-17-34(64-44(30)76)45(77)58-24(4)42(74)62-32/h16,20-23,25-27,30-36,38,40H,4,9-15,17-19H2,1-3,5-8H3,(H,55,56)(H,57,71)(H,58,77)(H,59,78)(H,60,82)(H,61,80)(H,62,74)(H,63,75)(H,64,76)(H,65,79)(H,66,81)(H,69,86)(H,84,85)(H,68,72,73)/t23?,25?,26?,27?,30-,31?,32+,33?,34?,35?,36?,38+,40?/m0/s1 |
| SMILES | C=C1NC(=O)C2CSCC3NC(=O)C(CSC(C)C(NC(=S)C(CC4=CN=C[NH]4)NC(=O)C4=CSC(C(C)NC(C)=O)=N4)C(=O)N[C@@H](CC(C)C(=O)NC(=O)CC(C(=O)O)NC(=O)C(C)NC3=O)C(=O)N2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Aziz, Saefuddin; Berscheid, Anne; Brötz-Oesterhelt, Heike; Gehringer, Matthias; Gross, Harald; Kramer, Markus; Saad, Hamada; Straetener, Jan Nocathioamides, Uncovered by a Tunable Metabologenomic Approach, Define a Novel Class of Chimeric Lanthipeptides Angewandte Chemie International Edition 2021 60 (30) 16472-16479. | ||
|---|---|---|---|
| DOI | 10.1002/anie.202102571 | PMID | 33991039 |
