Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006910
PROPERTIES
| NPAID | NPA006910 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | MTC A |
| FORMULA | C91H150N22O24 |
| MOLECULAR WEIGHT (Da) | 1936.3310 |
| ACCURATE MASS (Da) | 1935.1193 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. CBS 597.80 |
| InChIKey | MHFQJGDAGRDFMM-UHFFFAOYSA-N |
| InChI | InChI=1S/C91H150N22O24/c1-46(2)41-58(72(126)109-91(25,26)83(137)113-40-30-33-59(113)73(127)103-65(47(3)4)74(128)111-90(23,24)82(136)112-89(21,22)80(134)102-56(35-38-62(93)118)60(116)43-54(34-37-61(92)117)70(124)99-55(45-114)42-53-31-28-27-29-32-53)100-64(120)44-95-76(130)84(11,12)110-75(129)66(48(5)6)104-81(135)88(19,20)108-71(125)57(36-39-63(94)119)101-67(121)49(7)96-78(132)86(15,16)106-69(123)51(9)98-79(133)87(17,18)107-68(122)50(8)97-77(131)85(13,14)105-52(10)115/h27-29,31-32,46-51,54-59,65-66,114H,30,33-45H2,1-26H3,(H2,92,117)(H2,93,118)(H2,94,119)(H,95,130)(H,96,132)(H,97,131)(H,98,133)(H,99,124)(H,100,120)(H,101,121)(H,102,134)(H,103,127)(H,104,135)(H,105,115)(H,106,123)(H,107,122)(H,108,125)(H,109,126)(H,110,129)(H,111,128)(H,112,136) |
| 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)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 |
