Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005168
PROPERTIES
| NPAID | NPA005168 |
|---|---|
| CLUSTER ID | 249 |
| NODE ID | 20 |
| NAME | Aquachelin B |
| FORMULA | C44H76N10O20 |
| MOLECULAR WEIGHT (Da) | 1065.1420 |
| ACCURATE MASS (Da) | 1064.5237 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Marinobacter |
| ORIGIN SPECIES | sp. |
| InChIKey | WOJFGQUZCNCVME-UHFFFAOYSA-N |
| InChI | InChI=1S/C44H76N10O20/c1-4-5-6-7-8-9-10-11-12-17-34(61)52-35(36(62)44(71)72)42(68)51-32(24-57)41(67)50-30(22-55)39(65)47-28(18-19-33(45)60)38(64)46-27(15-13-20-53(73)25(2)58)37(63)49-31(23-56)40(66)48-29(43(69)70)16-14-21-54(74)26(3)59/h27-32,35-36,55-57,62,73-74H,4-24H2,1-3H3,(H2,45,60)(H,46,64)(H,47,65)(H,48,66)(H,49,63)(H,50,67)(H,51,68)(H,52,61)(H,69,70)(H,71,72) |
| SMILES | CCCCCCCCCCCC(=O)NC(C(C(=O)O)O)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN(C(=O)C)O)C(=O)NC(CO)C(=O)NC(CCCN(C(=O)C)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Martinez, J. S. Self-Assembling Amphiphilic Siderophores from Marine Bacteria Science 2000 287 (5456) 1245-1247. | ||
|---|---|---|---|
| DOI | 10.1126/science.287.5456.1245 | PMID | 10678827 |
