Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025668
PROPERTIES
| NPAID | NPA025668 |
|---|---|
| CLUSTER ID | 7760 |
| NODE ID | 141 |
| NAME | Cebulantin |
| FORMULA | C95H131N23O26S3 |
| MOLECULAR WEIGHT (Da) | 2107.4290 |
| ACCURATE MASS (Da) | 2105.8798 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Saccharopolyspora |
| ORIGIN SPECIES | cebuensis |
| InChIKey | NFKAZFDQELSTCL-ZOSKEMBGSA-N |
| InChI | InChI=1S/C95H131N23O26S3/c1-11-45(7)74(114-78(126)54-26-20-25-53(54)69(121)34-96)90(138)116-76-48(10)146-42-64-86(134)106-60(31-50-35-98-58-27-19-18-24-52(50)58)80(128)100-37-72(124)103-57(14-4)93(141)118-38-51(120)32-68(118)88(136)111-65(43-147-47(9)75(92(140)110-64)115-81(129)55(12-2)102-71(123)36-99-79(127)59(107-91(76)139)30-49-22-16-15-17-23-49)94(142)117-29-21-28-67(117)87(135)109-63-40-145-41-66(95(143)144)112-84(132)62(39-119)108-89(137)73(44(5)6)113-82(130)56(13-3)104-83(131)61(33-70(97)122)105-77(125)46(8)101-85(63)133/h12-19,22-24,27,35,44-48,51,53-54,59-68,73-76,98,119-120H,11,20-21,25-26,28-34,36-43,96H2,1-10H3,(H2,97,122)(H,99,127)(H,100,128)(H,101,133)(H,102,123)(H,103,124)(H,104,131)(H,105,125)(H,106,134)(H,107,139)(H,108,137)(H,109,135)(H,110,140)(H,111,136)(H,112,132)(H,113,130)(H,114,126)(H,115,129)(H,116,138)(H,143,144)/t45-,46-,47-,48-,51+,53?,54+,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,73-,74-,75+,76+/m0/s1 |
| SMILES | CC=C1NC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCC2C(=O)CN)[C@@H](C)CC)[C@H](C)SC[C@@H]2NC(=O)[C@H](NC1=O)[C@H](C)SC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)C(=CC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC1=O)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C(=CC)NC(=O)CNC(=O)[C@H](CC1=C[NH]C3=CC=CC=C13)NC2=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Moon, Kyuho; Xu, Fei; Seyedsayamdost, Mohammad R. Cebulantin, a Cryptic Lanthipeptide Antibiotic Uncovered Using Bioactivity-Coupled HiTES Angewandte Chemie International Edition 2019 58 (18) 5973-5977. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201901342 | PMID | 30843641 |
