Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018638
PROPERTIES
| NPAID | NPA018638 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | MTC B |
| FORMULA | C92H152N22O24 |
| MOLECULAR WEIGHT (Da) | 1950.3580 |
| ACCURATE MASS (Da) | 1949.1350 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. CBS 597.80 |
| InChIKey | OJGNICPVUZXGQM-UHFFFAOYSA-N |
| InChI | InChI=1S/C92H152N22O24/c1-27-92(26,83(137)103-57(36-39-63(94)119)61(117)44-55(35-38-62(93)118)71(125)100-56(46-115)43-54-32-29-28-30-33-54)113-82(136)90(22,23)112-75(129)66(48(4)5)104-74(128)60-34-31-41-114(60)84(138)91(24,25)110-73(127)59(42-47(2)3)101-65(121)45-96-77(131)85(12,13)111-76(130)67(49(6)7)105-81(135)89(20,21)109-72(126)58(37-40-64(95)120)102-68(122)50(8)97-79(133)87(16,17)107-70(124)52(10)99-80(134)88(18,19)108-69(123)51(9)98-78(132)86(14,15)106-53(11)116/h28-30,32-33,47-52,55-60,66-67,115H,27,31,34-46H2,1-26H3,(H2,93,118)(H2,94,119)(H2,95,120)(H,96,131)(H,97,133)(H,98,132)(H,99,134)(H,100,125)(H,101,121)(H,102,122)(H,103,137)(H,104,128)(H,105,135)(H,106,116)(H,107,124)(H,108,123)(H,109,126)(H,110,127)(H,111,130)(H,112,129)(H,113,136) |
| SMILES | CCC(C)(C(=O)NC(CCC(=O)N)C(=O)CC(CCC(=O)N)C(=O)NC(CC1=CC=CC=C1)CO)NC(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kimonyo, Anastase; Brückner, Hans Sequences of Metanicins, 20-Residue Peptaibols from the Ascomycetous Fungus CBS 597.80 Chemistry and Biodiversity 2013 10 (5) 813-826. | ||
|---|---|---|---|
| DOI | 10.1002/cbdv.201300064 | PMID | 23681727 |
