Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017383
PROPERTIES
| NPAID | NPA017383 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | MTC C |
| 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 | YHTHRBUDVXMMRI-UHFFFAOYSA-N |
| InChI | InChI=1S/C92H152N22O24/c1-47(2)42-58(71(126)109-92(26,27)83(138)114-41-31-34-59(114)72(127)103-65(48(3)4)73(128)111-91(24,25)82(137)113-88(18,19)78(133)101-56(36-39-62(94)119)60(117)44-54(35-38-61(93)118)69(124)99-55(46-115)43-53-32-29-28-30-33-53)100-64(121)45-96-75(130)84(10,11)110-74(129)66(49(5)6)104-80(135)87(16,17)108-70(125)57(37-40-63(95)120)102-79(134)89(20,21)112-81(136)90(22,23)107-68(123)51(8)98-77(132)86(14,15)106-67(122)50(7)97-76(131)85(12,13)105-52(9)116/h28-30,32-33,47-51,54-59,65-66,115H,31,34-46H2,1-27H3,(H2,93,118)(H2,94,119)(H2,95,120)(H,96,130)(H,97,131)(H,98,132)(H,99,124)(H,100,121)(H,101,133)(H,102,134)(H,103,127)(H,104,135)(H,105,116)(H,106,122)(H,107,123)(H,108,125)(H,109,126)(H,110,129)(H,111,128)(H,112,136)(H,113,137) |
| SMILES | CC(C)CC(C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)N)C(=O)CC(CCC(=O)N)C(=O)NC(CC2=CC=CC=C2)CO)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)(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 |
