Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027860
PROPERTIES
| NPAID | NPA027860 |
|---|---|
| CLUSTER ID | 514 |
| NODE ID | 460 |
| NAME | Emericellipsin A |
| FORMULA | C54H99N9O11 |
| MOLECULAR WEIGHT (Da) | 1050.4380 |
| ACCURATE MASS (Da) | 1049.7464 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Emericellopsis |
| ORIGIN SPECIES | alkalina |
| InChIKey | GCJBTVNZHWUCFO-SUJAVFRLSA-N |
| InChI | InChI=1S/C54H99N9O11/c1-14-18-19-20-21-22-23-37(8)50(72)63-28-25-36(7)45(63)49(71)59-42(31-34(5)30-41(66)32-40(65)16-3)47(69)58-39(10)46(68)61-53(11,12)51(73)60-44(35(6)15-2)48(70)62-54(13,17-4)52(74)56-26-24-43(67)57-38(9)33-55-27-29-64/h34-39,41-42,44-45,55,64,66H,14-33H2,1-13H3,(H,56,74)(H,57,67)(H,58,69)(H,59,71)(H,60,73)(H,61,68)(H,62,70)/t34-,35+,36-,37-,38?,39+,41?,42+,44+,45+,54+/m1/s1 |
| SMILES | CCCCCCCC[C@@H](C)C(=O)N1CC[C@@H](C)[C@H]1C(=O)N[C@@H](C[C@H](C)CC(O)CC(=O)CC)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@](C)(CC)C(=O)NCCC(=O)NC(C)CNCCO)[C@@H](C)CC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Rogozhin, Eugene A.; Sadykova, Vera S.; Baranova, Anna A.; Vasilchenko, Alexey S.; Lushpa, Vladislav A.; Mineev, Konstantin S.; Georgieva, Marina L.; Kul'ko, Alexander B.; Krasheninnikov, Mikhail E.; Lyundup, Alexey V.; Vasilchenko, Anastasia V.; Andreev, Yaroslav A. A novel lipopeptaibol emericellipsin a with antimicrobial and antitumor activity produced by the extremophilic fungus emericellopsis alkalina Molecules 2018 23 (11) None. | ||
|---|---|---|---|
| DOI | 10.3390/molecules23112785 | PMID | 30373232 |
