Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA026829
PROPERTIES
| NPAID | NPA026829 |
|---|---|
| CLUSTER ID | 2306 |
| NODE ID | 1824 |
| NAME | Myropeptin B |
| FORMULA | C83H142N18O20 |
| MOLECULAR WEIGHT (Da) | 1712.1550 |
| ACCURATE MASS (Da) | 1711.0648 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Myrothecium |
| ORIGIN SPECIES | roridum F27113 |
| InChIKey | JOSZEHOSQKJAHT-QDDNDEIWSA-N |
| InChI | InChI=1S/C83H142N18O20/c1-26-27-28-29-30-31-32-33-34-41-55(103)89-80(18,19)69(117)100-47-36-39-52(100)60(108)92-78(14,15)67(115)97-82(22,23)71(119)101-48-37-40-53(101)61(109)93-77(12,13)66(114)96-81(20,21)70(118)99-46-35-38-51(99)59(107)87-50(3)58(106)90-73(4,5)62(110)84-44-42-54(102)86-49(2)57(105)91-76(10,11)65(113)94-74(6,7)63(111)85-45-43-56(104)88-75(8,9)64(112)95-79(16,17)68(116)98-83(24,25)72(120)121/h49-53H,26-48H2,1-25H3,(H,84,110)(H,85,111)(H,86,102)(H,87,107)(H,88,104)(H,89,103)(H,90,106)(H,91,105)(H,92,108)(H,93,109)(H,94,113)(H,95,112)(H,96,114)(H,97,115)(H,98,116)(H,120,121)/t49-,50-,51-,52-,53-/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)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 |
