Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA026828
PROPERTIES
| NPAID | NPA026828 |
|---|---|
| CLUSTER ID | 2306 |
| NODE ID | 1824 |
| NAME | Myropeptin A2 |
| FORMULA | C88H150N20O22 |
| MOLECULAR WEIGHT (Da) | 1840.2860 |
| ACCURATE MASS (Da) | 1839.1234 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Myrothecium |
| ORIGIN SPECIES | roridum F27113 |
| InChIKey | SVILHBHLAGERMJ-FMBXVYBVSA-N |
| InChI | InChI=1S/C88H150N20O22/c1-27-28-29-30-31-32-33-34-35-42-58(110)96-86(21,22)75(128)107-48-37-40-55(107)65(118)99-84(17,18)73(126)105-88(25,26)77(130)108-49-38-41-56(108)66(119)100-83(15,16)72(125)104-87(23,24)76(129)106-47-36-39-54(106)64(117)93-53(4)63(116)97-78(5,6)67(120)89-45-43-57(109)92-52(3)62(115)98-82(13,14)71(124)101-79(7,8)68(121)90-46-44-59(111)95-81(11,12)70(123)103-85(19,20)74(127)102-80(9,10)69(122)94-51(2)61(114)91-50-60(112)113/h51-56H,27-50H2,1-26H3,(H,89,120)(H,90,121)(H,91,114)(H,92,109)(H,93,117)(H,94,122)(H,95,111)(H,96,110)(H,97,116)(H,98,115)(H,99,118)(H,100,119)(H,101,124)(H,102,127)(H,103,123)(H,104,125)(H,105,126)(H,112,113)/t51-,52-,53-,54-,55-,56-/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)NCC(=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 |
