Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA012937
PROPERTIES
NPAID | NPA012937 |
---|---|
CLUSTER ID | 2900 |
NODE ID | 143 |
NAME | Curvopeptin-4 |
FORMULA | C111H170N24O30S2 |
MOLECULAR WEIGHT (Da) | 2384.8530 |
ACCURATE MASS (Da) | 2383.1956 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Thermomonospora |
ORIGIN SPECIES | curvata |
InChIKey | NHQNFPXMNAJIFJ-UHFFFAOYSA-N |
InChI | InChI=1S/C111H170N24O30S2/c1-54(2)35-69(111(164)165)44-85(137)81-50-166-52-83(107(160)120-64(18)95(148)126-78(43-68-31-25-22-26-32-68)98(151)118-65(19)96(149)135-90(66(20)136)109(162)131-73(37-56(5)6)99(152)121-70(48-114-81)36-55(3)4)134-110(163)91(144)72(42-67-29-23-21-24-30-67)124-97(150)71(33-27-28-34-112)123-105(158)80(46-89(142)143)130-108(161)84-53-167-51-82(132-102(155)77(41-60(13)14)129-104(157)79(45-88(140)141)122-87(139)49-115-86(138)47-113)106(159)119-62(16)93(146)116-61(15)92(145)117-63(17)94(147)125-74(38-57(7)8)100(153)127-75(39-58(9)10)101(154)128-76(40-59(11)12)103(156)133-84/h21-26,29-32,54-61,64,66,69-84,90,114,136H,16-17,19,27-28,33-53,112-113H2,1-15,18,20H3,(H,115,138)(H,116,146)(H,117,145)(H,118,151)(H,119,159)(H,120,160)(H,121,152)(H,122,139)(H,123,158)(H,124,150)(H,125,147)(H,126,148)(H,127,153)(H,128,154)(H,129,157)(H,130,161)(H,131,162)(H,132,155)(H,133,156)(H,134,163)(H,135,149)(H,140,141)(H,142,143)(H,164,165) |
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)NC(=O)CNC(=O)CN)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. | ||
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DOI | 10.1002/cbic.201200417 | PMID | 22907786 |