Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033085
PROPERTIES
| NPAID | NPA033085 |
|---|---|
| CLUSTER ID | 9541 |
| NODE ID | 141 |
| NAME | Gausemycin B |
| FORMULA | C87H121ClN18O29 |
| MOLECULAR WEIGHT (Da) | 1918.4750 |
| ACCURATE MASS (Da) | 1916.8235 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. INA-Ac-5812 |
| InChIKey | ZSGBYOOWDWUSGB-ULKWOHBESA-N |
| InChI | InChI=1S/C87H121ClN18O29/c1-43(2)14-10-11-19-65(112)92-30-27-67(114)97-53(17-12-29-91-66(113)26-28-89)78(125)100-57(35-61(108)48-15-8-7-9-16-48)82(129)105-73(63(110)38-71(119)120)85(132)103-55(33-47-20-23-50(24-21-47)135-87-75(122)74(121)64(111)42-134-87)81(128)104-72-45(5)95-83(130)60-18-13-31-106(60)86(133)46(6)96-79(126)56(36-62(109)51-25-22-49(88)34-52(51)90)98-68(115)39-94-77(124)59(41-107)99-69(116)40-93-76(123)58(37-70(117)118)101-80(127)54(32-44(3)4)102-84(72)131/h7-11,14-16,19-25,34,43-46,53-61,63-64,72-75,87,107-108,110-111,121-122H,12-13,17-18,26-33,35-42,89-90H2,1-6H3,(H,91,113)(H,92,112)(H,93,123)(H,94,124)(H,95,130)(H,96,126)(H,97,114)(H,98,115)(H,99,116)(H,100,125)(H,101,127)(H,102,131)(H,103,132)(H,104,128)(H,105,129)(H,117,118)(H,119,120)/b14-10+,19-11-/t45?,46-,53+,54+,55-,56-,57?,58-,59-,60-,61?,63?,64-,72?,73?,74-,75+,87-/m0/s1 |
| SMILES | CC(C)/C=C/C=C\C(=O)NCCC(=O)N[C@H](CCCNC(=O)CCN)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 | - |
