Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014912
PROPERTIES
| NPAID | NPA014912 |
|---|---|
| CLUSTER ID | 2900 |
| NODE ID | 143 |
| NAME | Curvopeptin-3 |
| FORMULA | C109H167N23O29S2 |
| MOLECULAR WEIGHT (Da) | 2327.8010 |
| ACCURATE MASS (Da) | 2326.1741 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Thermomonospora |
| ORIGIN SPECIES | curvata |
| InChIKey | HKLNUHNYFDXFFR-UHFFFAOYSA-N |
| InChI | InChI=1S/C109H167N23O29S2/c1-53(2)35-68(109(160)161)44-84(134)80-49-162-51-82(105(156)117-63(18)93(144)123-77(43-67-31-25-22-26-32-67)96(147)115-64(19)94(145)132-88(65(20)133)107(158)128-72(37-55(5)6)97(148)118-69(48-112-80)36-54(3)4)131-108(159)89(140)71(42-66-29-23-21-24-30-66)121-95(146)70(33-27-28-34-110)120-103(154)79(46-87(138)139)127-106(157)83-52-163-50-81(129-100(151)76(41-59(13)14)126-102(153)78(45-86(136)137)119-85(135)47-111)104(155)116-61(16)91(142)113-60(15)90(141)114-62(17)92(143)122-73(38-56(7)8)98(149)124-74(39-57(9)10)99(150)125-75(40-58(11)12)101(152)130-83/h21-26,29-32,53-60,63,65,68-83,88,112,133H,16-17,19,27-28,33-52,110-111H2,1-15,18,20H3,(H,113,142)(H,114,141)(H,115,147)(H,116,155)(H,117,156)(H,118,148)(H,119,135)(H,120,154)(H,121,146)(H,122,143)(H,123,144)(H,124,149)(H,125,150)(H,126,153)(H,127,157)(H,128,158)(H,129,151)(H,130,152)(H,131,159)(H,132,145)(H,136,137)(H,138,139)(H,160,161) |
| 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)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. | ||
|---|---|---|---|
| DOI | 10.1002/cbic.201200417 | PMID | 22907786 |
