Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004319
PROPERTIES
| NPAID | NPA004319 |
|---|---|
| CLUSTER ID | 1167 |
| NODE ID | 141 |
| NAME | Lariatin A |
| FORMULA | C94H143N27O25 |
| MOLECULAR WEIGHT (Da) | 2051.3420 |
| ACCURATE MASS (Da) | 2050.0748 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Rhodococcus |
| ORIGIN SPECIES | sp. K01- B0171 |
| InChIKey | ZYWDOXCVVHITIW-QFBVMFCQSA-N |
| InChI | InChI=1S/C94H143N27O25/c1-11-50(10)77(91(143)111-60(20-14-15-31-95)92(144)121-33-17-22-68(121)93(145)146)120-90(142)76(49(8)9)119-85(137)65(38-70(97)126)114-87(139)67(44-123)116-82(134)64(37-53-40-100-45-105-53)106-73(129)42-104-88(140)74(47(4)5)117-84(136)63(36-52-39-102-56-19-13-12-18-55(52)56)113-80(132)59-28-30-71(127)103-41-72(128)107-66(43-122)86(138)110-58(27-29-69(96)125)79(131)112-61(34-46(2)3)83(135)118-75(48(6)7)89(141)115-62(35-51-23-25-54(124)26-24-51)81(133)108-57(78(130)109-59)21-16-32-101-94(98)99/h12-13,18-19,23-26,39-40,45-50,57-68,74-77,102,122-124H,11,14-17,20-22,27-38,41-44,95H2,1-10H3,(H2,96,125)(H2,97,126)(H,100,105)(H,103,127)(H,104,140)(H,106,129)(H,107,128)(H,108,133)(H,109,130)(H,110,138)(H,111,143)(H,112,131)(H,113,132)(H,114,139)(H,115,141)(H,116,134)(H,117,136)(H,118,135)(H,119,137)(H,120,142)(H,145,146)(H4,98,99,101)/t50-,57-,58-,59?,60-,61-,62-,63-,64-,65-,66-,67-,68-,74-,75-,76-,77-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=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](CC2=CN=CN2)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C5CCC(=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)N5)CCCNC(=N)N)CC6=CC=C(C=C6)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 |
