Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012792
PROPERTIES
| NPAID | NPA012792 |
|---|---|
| CLUSTER ID | 2891 |
| NODE ID | 141 |
| NAME | Curvopeptin-2 |
| FORMULA | C107H164N22O28S2 |
| MOLECULAR WEIGHT (Da) | 2270.7490 |
| ACCURATE MASS (Da) | 2269.1527 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Thermomonospora |
| ORIGIN SPECIES | curvata |
| InChIKey | SBROJWBCVJGPCH-UHFFFAOYSA-N |
| InChI | InChI=1S/C107H164N22O28S2/c1-52(2)35-67(107(156)157)44-83(131)79-48-158-50-81(103(152)115-62(18)91(140)120-77(43-66-31-25-22-26-32-66)95(144)113-63(19)92(141)129-86(64(20)130)105(154)125-72(37-54(5)6)96(145)116-68(47-110-79)36-53(3)4)128-106(155)87(136)71(42-65-29-23-21-24-30-65)118-94(143)70(33-27-28-34-108)117-101(150)78(46-85(134)135)124-104(153)82-51-159-49-80(126-99(148)74(39-56(9)10)121-93(142)69(109)45-84(132)133)102(151)114-60(16)89(138)111-59(15)88(137)112-61(17)90(139)119-73(38-55(7)8)97(146)122-75(40-57(11)12)98(147)123-76(41-58(13)14)100(149)127-82/h21-26,29-32,52-59,62,64,67-82,86,110,130H,16-17,19,27-28,33-51,108-109H2,1-15,18,20H3,(H,111,138)(H,112,137)(H,113,144)(H,114,151)(H,115,152)(H,116,145)(H,117,150)(H,118,143)(H,119,139)(H,120,140)(H,121,142)(H,122,146)(H,123,147)(H,124,153)(H,125,154)(H,126,148)(H,127,149)(H,128,155)(H,129,141)(H,132,133)(H,134,135)(H,156,157) |
| SMILES | CC1C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)NC(C(=O)NC(CNC(CSCC(C(=O)N1)NC(=O)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C3CSCC(C(=O)NC(=C)C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3)CC(C)C)CC(C)C)CC(C)C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)N)C(=O)CC(CC(C)C)C(=O)O)CC(C)C)CC(C)C)C(C)O)CC4=CC=CC=C4 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Krawczyk, Bartlomiej; Völler, Ginka H.; Völler, Jan; Ensle, Paul; Süssmuth, Roderich D. Curvopeptin: A New Lanthionine-Containing Class III Lantibiotic and its Co-substrate Promiscuous Synthetase ChemBioChem 2012 13 (14) 2065-2071. | ||
|---|---|---|---|
| DOI | 10.1002/cbic.201200417 | PMID | 22907786 |
