Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021780
PROPERTIES
| NPAID | NPA021780 |
|---|---|
| CLUSTER ID | 6748 |
| NODE ID | 141 |
| NAME | Paenialvin A |
| FORMULA | C90H166N22O21 |
| MOLECULAR WEIGHT (Da) | 1892.4510 |
| ACCURATE MASS (Da) | 1891.2598 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Paenibacillus |
| ORIGIN SPECIES | alvei DSM 29 |
| InChIKey | AAYWFUPQOIAEBF-FIFUHQDSSA-N |
| InChI | InChI=1S/C90H166N22O21/c1-21-54(18)71(111-82(125)66(42-51(12)13)106-78(121)62(38-47(4)5)102-73(116)55(19)97-77(120)61(37-46(2)3)107-85(128)69(115)45-114)87(130)100-59(32-28-36-96-90(94)95)76(119)103-63(39-48(6)7)79(122)105-65(41-50(10)11)81(124)110-70(53(16)17)86(129)99-58(30-23-26-34-92)75(118)104-67(43-52(14)15)83(126)112-72-56(20)133-89(132)60(31-24-27-35-93)101-74(117)57(29-22-25-33-91)98-84(127)68(44-113)109-80(123)64(40-49(8)9)108-88(72)131/h46-72,113-115H,21-45,91-93H2,1-20H3,(H,97,120)(H,98,127)(H,99,129)(H,100,130)(H,101,117)(H,102,116)(H,103,119)(H,104,118)(H,105,122)(H,106,121)(H,107,128)(H,108,131)(H,109,123)(H,110,124)(H,111,125)(H,112,126)(H4,94,95,96)/t54?,55-,56?,57?,58?,59-,60?,61?,62?,63?,64?,65?,66?,67?,68-,69?,70-,71+,72+/m1/s1 |
| SMILES | CCC(C)[C@H](NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)[C@@H](C)NC(=O)C(CC(C)C)NC(=O)C(O)CO)C(=O)N[C@H](CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)N[C@@H](C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)N[C@@H]1C(=O)NC(CC(C)C)C(=O)N[C@H](CO)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)OC1C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Meng, Jia; Zhong, Zheng; Qian, Pei-Yuan Paenialvin A–D, four peptide antibiotics produced by Paenibacillus alvei DSM 29 Journal of Antibiotics 2018 71 (9) 769-777. | ||
|---|---|---|---|
| DOI | 10.1038/s41429-017-0001-3 | PMID | 29760411 |
