Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014449
PROPERTIES
| NPAID | NPA014449 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | MTC D |
| FORMULA | C93H154N22O24 |
| MOLECULAR WEIGHT (Da) | 1964.3850 |
| ACCURATE MASS (Da) | 1963.1506 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. CBS 597.80 |
| InChIKey | JOMWJUJGDPDGLE-UHFFFAOYSA-N |
| InChI | InChI=1S/C93H154N22O24/c1-28-93(27,83(138)102-57(37-40-63(95)120)61(118)45-55(36-39-62(94)119)70(125)100-56(47-116)44-54-33-30-29-31-34-54)114-82(137)91(23,24)112-74(129)66(49(4)5)104-73(128)60-35-32-42-115(60)84(139)92(25,26)110-72(127)59(43-48(2)3)101-65(122)46-97-76(131)85(11,12)111-75(130)67(50(6)7)105-80(135)88(17,18)109-71(126)58(38-41-64(96)121)103-79(134)89(19,20)113-81(136)90(21,22)108-69(124)52(9)99-78(133)87(15,16)107-68(123)51(8)98-77(132)86(13,14)106-53(10)117/h29-31,33-34,48-52,55-60,66-67,116H,28,32,35-47H2,1-27H3,(H2,94,119)(H2,95,120)(H2,96,121)(H,97,131)(H,98,132)(H,99,133)(H,100,125)(H,101,122)(H,102,138)(H,103,134)(H,104,128)(H,105,135)(H,106,117)(H,107,123)(H,108,124)(H,109,126)(H,110,127)(H,111,130)(H,112,129)(H,113,136)(H,114,137) |
| 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)(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 |
