Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001848
PROPERTIES
| NPAID | NPA001848 |
|---|---|
| CLUSTER ID | 1167 |
| NODE ID | 141 |
| NAME | Lariatin B |
| FORMULA | C101H153N29O27 |
| MOLECULAR WEIGHT (Da) | 2205.5110 |
| ACCURATE MASS (Da) | 2204.1491 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Rhodococcus |
| ORIGIN SPECIES | sp. K01- B0171 |
| InChIKey | XDLJQDLRJZFDJV-SLSODTHRSA-N |
| InChI | InChI=1S/C101H153N29O27/c1-11-54(10)83(98(154)119-61(21-14-15-33-102)84(140)112-46-79(139)129-35-17-23-72(129)99(155)130-36-18-24-73(130)100(156)157)128-97(153)82(53(8)9)127-92(148)69(41-75(104)135)122-94(150)71(48-132)124-89(145)68(40-57-43-107-49-113-57)114-78(138)45-111-95(151)80(51(4)5)125-91(147)67(39-56-42-109-60-20-13-12-19-59(56)60)121-87(143)64-30-32-76(136)110-44-77(137)115-70(47-131)93(149)118-63(29-31-74(103)134)86(142)120-65(37-50(2)3)90(146)126-81(52(6)7)96(152)123-66(38-55-25-27-58(133)28-26-55)88(144)116-62(85(141)117-64)22-16-34-108-101(105)106/h12-13,19-20,25-28,42-43,49-54,61-73,80-83,109,131-133H,11,14-18,21-24,29-41,44-48,102H2,1-10H3,(H2,103,134)(H2,104,135)(H,107,113)(H,110,136)(H,111,151)(H,112,140)(H,114,138)(H,115,137)(H,116,144)(H,117,141)(H,118,149)(H,119,154)(H,120,142)(H,121,143)(H,122,150)(H,123,152)(H,124,145)(H,125,147)(H,126,146)(H,127,148)(H,128,153)(H,156,157)(H4,105,106,108)/t54-,61-,62-,63-,64?,65-,66-,67-,68-,69-,70-,71-,72-,73-,80-,81-,82-,83-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CN=CN3)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)C6CCC(=O)NCC(=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)N6)CCCNC(=N)N)CC7=CC=C(C=C7)O)C(C)C)CC(C)C)CCC(=O)N)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Iwatsuki, Masato; Tomoda, Hiroshi; Uchida, Ryuji; Gouda, Hiroaki; Hirono, Shuichi; Ōmura, Satoshi Lariatins, Antimycobacterial Peptides Produced by Rhodococcus sp. K01-B0171, Have a Lasso Structure Journal of the American Chemical Society 2006 128 (23) 7486-7491. | ||
|---|---|---|---|
| DOI | 10.1021/ja056780z | PMID | 16756302 |
