Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA016227
PROPERTIES
NPAID | NPA016227 |
---|---|
CLUSTER ID | 5560 |
NODE ID | 3936 |
NAME | Gymnopeptide A |
FORMULA | C84H150N18O19 |
MOLECULAR WEIGHT (Da) | 1716.2310 |
ACCURATE MASS (Da) | 1715.1325 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Gymnopus |
ORIGIN SPECIES | fusipes |
InChIKey | UKMCVIMJRQDJCZ-XBELMMIXSA-N |
InChI | InChI=1S/C84H150N18O19/c1-40(2)58-80(117)93(27)37-56(104)85-51(23)76(113)97(31)62(44(9)10)70(107)86-52(24)77(114)98(32)64(46(13)14)72(109)88-55(39-103)79(116)100(34)66(48(17)18)74(111)91-61(43(7)8)83(120)102(36)67(49(19)20)75(112)92-60(42(5)6)82(119)101(35)63(45(11)12)71(108)87-53(25)78(115)99(33)65(47(15)16)73(110)90-59(41(3)4)81(118)94(28)38-57(105)96(30)68(50(21)22)84(121)95(29)54(26)69(106)89-58/h40-55,58-68,103H,37-39H2,1-36H3,(H,85,104)(H,86,107)(H,87,108)(H,88,109)(H,89,106)(H,90,110)(H,91,111)(H,92,112)/t51-,52-,53-,54-,55-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1 |
SMILES | C[C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N(CC(=O)N1)C)C(C)C)C)C)C(C)C)C)C)C(C)C)C(C)C)C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)CO)C(C)C)C)C)C(C)C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Ványolós, Attila; Dékány, Miklós; Kovács, Bernadett; Krámos, Balázs; Bérdi, Péter; Zupkó, István; Hohmann, Judit; Béni, Zoltán Gymnopeptides A and B, Cyclic Octadecapeptides from the Mushroom Gymnopus fusipes Organic Letters 2016 18 (11) 2688-2691. | ||
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DOI | 10.1021/acs.orglett.6b01158 | PMID | 27194202 |