Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033139
PROPERTIES
| NPAID | NPA033139 |
|---|---|
| CLUSTER ID | 248 |
| NODE ID | 11 |
| NAME | Potashchelin D |
| FORMULA | C45H74N10O22 |
| MOLECULAR WEIGHT (Da) | 1107.1350 |
| ACCURATE MASS (Da) | 1106.4979 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Halomonas |
| ORIGIN SPECIES | sp. MG34 |
| InChIKey | GTPBRJNSBFUDNY-KWPSOIMCSA-N |
| InChI | InChI=1S/C45H74N10O22/c1-3-4-5-6-7-8-9-10-11-12-13-16-29(61)52-32(34(63)44(73)74)41(70)50-25(19-56)36(65)46-18-30(62)47-26(20-57)37(66)49-28(22-59)39(68)54-33(35(64)45(75)76)42(71)53-31(23(2)60)40(69)51-27(21-58)38(67)48-24-15-14-17-55(77)43(24)72/h8-9,23-28,31-35,56-60,63-64,77H,3-7,10-22H2,1-2H3,(H,46,65)(H,47,62)(H,48,67)(H,49,66)(H,50,70)(H,51,69)(H,52,61)(H,53,71)(H,54,68)(H,73,74)(H,75,76)/b9-8-/t23-,24+,25-,26-,27+,28+,31-,32+,33+,34+,35-/m1/s1 |
| SMILES | CCCCCC/C=C\CCCCCC(=O)N[C@H](C(=O)N[C@H](CO)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H]1CCCN(O)C1=O)[C@@H](C)O)[C@@H](O)C(=O)O)[C@H](O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Yihong; Liu, Li; Zhang, Gengxin; He, Ning; Guo, Wenqiang; Hong, Bin; Xie, Yunying Potashchelins, a Suite of Lipid Siderophores Bearing Both L-threo and L-erythro Beta-Hydroxyaspartic Acids, Acquired From the Potash-Salt-Ore-Derived Extremophile Halomonas sp. MG34 Frontiers in Chemistry 2020 8 (None) None. | ||
|---|---|---|---|
| DOI | 10.3389/fchem.2020.00197 | PMID | 32266214 |
