Compounds
ID | Spectrum Quality | Annotated Name |
---|---|---|
CCMSLIB00000531485 | Bronze | Pseudacyclin&A |
COMPOUND NPA008998
PROPERTIES
NPAID | NPA008998 |
---|---|
CLUSTER ID | 26 |
NODE ID | 26 |
NAME | Pseudacyclin A |
FORMULA | C39H61N7O7 |
MOLECULAR WEIGHT (Da) | 739.9590 |
ACCURATE MASS (Da) | 739.4632 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Pseudallescheria |
ORIGIN SPECIES | boydii |
InChIKey | RGAWRDNXJUOZMG-XACDJEMLSA-N |
InChI | InChI=1S/C39H61N7O7/c1-8-23(4)31-36(50)40-20-14-18-28(42-37(51)32(24(5)9-2)41-26(7)47)34(48)43-29(22-27-16-12-11-13-17-27)39(53)46-21-15-19-30(46)35(49)44-33(25(6)10-3)38(52)45-31/h11-13,16-17,23-25,28-33H,8-10,14-15,18-22H2,1-7H3,(H,40,50)(H,41,47)(H,42,51)(H,43,48)(H,44,49)(H,45,52)/t23-,24-,25-,28-,29+,30-,31-,32-,33-/m0/s1 |
SMILES | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)CC3=CC=CC=C3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)C)[C@@H](C)CC |
ORIGINAL ISOLATION REFERENCE
CITATION | Pavlaskova, Katerina; Nedved, Jan; Kuzma, Marek; Zabka, Martin; Sulc, Miroslav; Sklenar, Jan; Novak, Petr; Benada, Oldrich; Kofronova, Olga; Hajduch, Marian; Derrick, Peter J.; Lemr, Karel; Jegorov, Alexandr; Havlicek, Vladimir Characterization of pseudacyclins A-E, a suite of cyclic peptides produced by Pseudallescheria boydii Journal of Natural Products 2010 73 (6) 1027-1032. | ||
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DOI | 10.1021/np900472c | PMID | 20509707 |