Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033084
PROPERTIES
| NPAID | NPA033084 |
|---|---|
| CLUSTER ID | 9541 |
| NODE ID | 141 |
| NAME | Gausemycin A |
| FORMULA | C84H116ClN17O28 |
| MOLECULAR WEIGHT (Da) | 1847.3960 |
| ACCURATE MASS (Da) | 1845.7864 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. INA-Ac-5812 |
| InChIKey | PMTCHUARAZYWIB-ORKFZHLJSA-N |
| InChI | InChI=1S/C84H116ClN17O28/c1-41(2)14-10-11-19-63(108)88-28-26-64(109)93-51(17-12-27-86)75(120)96-55(33-59(104)46-15-8-7-9-16-46)79(124)101-70(61(106)36-68(114)115)82(127)99-53(31-45-20-23-48(24-21-45)130-84-72(117)71(116)62(107)40-129-84)78(123)100-69-43(5)91-80(125)58-18-13-29-102(58)83(128)44(6)92-76(121)54(34-60(105)49-25-22-47(85)32-50(49)87)94-65(110)37-90-74(119)57(39-103)95-66(111)38-89-73(118)56(35-67(112)113)97-77(122)52(30-42(3)4)98-81(69)126/h7-11,14-16,19-25,32,41-44,51-59,61-62,69-72,84,103-104,106-107,116-117H,12-13,17-18,26-31,33-40,86-87H2,1-6H3,(H,88,108)(H,89,118)(H,90,119)(H,91,125)(H,92,121)(H,93,109)(H,94,110)(H,95,111)(H,96,120)(H,97,122)(H,98,126)(H,99,127)(H,100,123)(H,101,124)(H,112,113)(H,114,115)/b14-10+,19-11-/t43?,44-,51+,52+,53-,54-,55?,56-,57-,58-,59?,61?,62-,69?,70?,71-,72+,84-/m0/s1 |
| SMILES | CC(C)/C=C/C=C\C(=O)NCCC(=O)N[C@H](CCCN)C(=O)NC(CC(O)C1=CC=CC=C1)C(=O)NC(C(=O)N[C@@H](CC1=CC=C(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1)C(=O)NC1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(=O)C2=C(N)C=C(Cl)C=C2)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NC1C)C(O)CC(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tyurin, Anton P.; Alferova, Vera A.; Paramonov, Alexander S.; Shuvalov, Maxim V.; Kudryakova, Gulnara K.; Rogozhin, Eugene A.; Zherebker, Alexander Y.; Brylev, Vladimir A.; Chistov, Alexey A.; Baranova, Anna A.; Biryukov, Mikhail V.; Ivanov, Igor A.; Prokhorenko, Igor A.; Grammatikova, Natalia E.; Kravchenko, Tatyana V.; Isakova, Elena B.; Mirchink, Elena P.; Gladkikh, Elena G.; Svirshchevskaya, Elena V.; Mardanov, Andrey V.; Beletsky, Aleksey V.; Kocharovskaya, Milita V.; Kulyaeva, Valeriya V.; Shashkov, Alexander S.; Tsvetkov, Dmitry E.; Nifantiev, Nikolay E.; Apt, Alexander S.; Majorov, Konstantin B.; Efimova, Svetlana S.; Ravin, Nikolai V.; Nikolaev, Evgeny N.; Ostroumova, Olga S.; Katrukha, Genrikh S.; Lapchinskaya, Olda A.; Dontsova, Olga A.; Terekhov, Stanislav S.; Osterman, Ilya A.; Shenkarev, Zakhar O.; Korshun, Vladimir A. Gausemycins A,B: Cyclic Lipoglycopeptides from Streptomyces sp. Angewandte Chemie 2021 133 (34) 18842-18851. | ||
|---|---|---|---|
| DOI | 10.1002/anie.202104528 | PMID | - |
