Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020733
PROPERTIES
| NPAID | NPA020733 |
|---|---|
| CLUSTER ID | 6511 |
| NODE ID | 141 |
| NAME | Lanthiopeptin |
| FORMULA | C90H125N25O26S3 |
| MOLECULAR WEIGHT (Da) | 2069.3400 |
| ACCURATE MASS (Da) | 2067.8390 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptoverticillium |
| ORIGIN SPECIES | cinnamoneum No. L337-2 |
| InChIKey | XVMBAMGBVVODFD-CKPAECAUSA-N |
| InChI | InChI=1S/C90H125N25O26S3/c1-43(2)66-85(135)110-59-41-142-40-58-80(130)109-60-42-144-45(4)68(87(137)106-55(76(126)111-66)34-48-22-12-7-13-23-48)112-77(127)54(33-47-20-10-6-11-21-47)105-83(133)61-26-17-31-115(61)65(119)38-99-73(123)53(32-46-18-8-5-9-19-46)104-79(129)57(107-81(60)131)36-96-29-15-14-24-50(70(120)88(138)139)101-86(136)67(113-78(128)56(35-63(93)117)100-64(118)37-98-84(134)69(114-82(59)132)71(121)89(140)141)44(3)143-39-49(91)72(122)102-51(25-16-30-97-90(94)95)74(124)103-52(75(125)108-58)27-28-62(92)116/h5-13,18-23,43-45,49-61,66-69,71,96,121H,14-17,24-42,91H2,1-4H3,(H2,92,116)(H2,93,117)(H,98,134)(H,99,123)(H,100,118)(H,101,136)(H,102,122)(H,103,124)(H,104,129)(H,105,133)(H,106,137)(H,107,131)(H,108,125)(H,109,130)(H,110,135)(H,111,126)(H,112,127)(H,113,128)(H,114,132)(H,138,139)(H,140,141)(H4,94,95,97)/t44-,45?,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,66+,67?,68+,69+,71-/m1/s1 |
| SMILES | C[C@@H]1C2C(=O)N[C@@H](CCCCNC[C@H]3C(=O)N[C@H](C(=O)NCC(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N[C@H]5C(SC[C@@H](C(=O)N3)NC(=O)[C@H](CSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2)CC(=O)N)[C@H](C(=O)O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC5=O)CC6=CC=CC=C6)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS1)N)CCCNC(=N)N)CCC(=O)N)C)CC7=CC=CC=C7)CC8=CC=CC=C8)C(=O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Naruse N; Tenmyo O; Tomita K; Konishi M; Miyaki T; Kawaguchi H; Fukase K; Wakamiya T; Shiba T Lanthiopeptin, a new peptide antibiotic. Production, isolation and properties of lanthiopeptin. Journal of Antibiotics 1989 42 (6) 837-845. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.42.837 | PMID | 2544544 |
