Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA026827
PROPERTIES
| NPAID | NPA026827 |
|---|---|
| CLUSTER ID | 2306 |
| NODE ID | 1824 |
| NAME | Myropeptin A1 |
| FORMULA | C89H152N20O22 |
| MOLECULAR WEIGHT (Da) | 1854.3130 |
| ACCURATE MASS (Da) | 1853.1390 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Myrothecium |
| ORIGIN SPECIES | roridum F27113 |
| InChIKey | DSMUZDXHOOUKSH-VICXIOLRSA-N |
| InChI | InChI=1S/C89H152N20O22/c1-27-28-29-30-31-32-33-34-35-42-59(111)97-87(21,22)76(129)108-50-37-40-56(108)66(119)100-85(17,18)74(127)106-89(25,26)78(131)109-51-38-41-57(109)67(120)101-84(15,16)73(126)105-88(23,24)77(130)107-49-36-39-55(107)65(118)94-54(4)64(117)98-79(5,6)68(121)91-46-43-58(110)93-53(3)63(116)99-83(13,14)72(125)102-80(7,8)69(122)92-47-44-60(112)96-82(11,12)71(124)104-86(19,20)75(128)103-81(9,10)70(123)95-52(2)62(115)90-48-45-61(113)114/h52-57H,27-51H2,1-26H3,(H,90,115)(H,91,121)(H,92,122)(H,93,110)(H,94,118)(H,95,123)(H,96,112)(H,97,111)(H,98,117)(H,99,116)(H,100,119)(H,101,120)(H,102,125)(H,103,128)(H,104,124)(H,105,126)(H,106,127)(H,113,114)/t52-,53-,54-,55-,56-,57-/m0/s1 |
| SMILES | CCCCCCCCCCCC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NCCC(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yoshimura, Aya; Nishimura, Shinichi; Suzuki, Takehiro; Hattori, Akira; Dohmae, Naoshi; Kato, Taira; Kakeya, Hideaki Isolation, Structure Elucidation, and Conformational Regulation of Myropeptins, Lipopeptides from the Fungus Myrothecium roridum Organic Letters 2019 21 (18) 7524-7528. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.9b02801 | PMID | 31497968 |
