Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016601
PROPERTIES
| NPAID | NPA016601 |
|---|---|
| CLUSTER ID | 248 |
| NODE ID | 11 |
| NAME | Aquachelin C |
| FORMULA | C46H78N10O20 |
| MOLECULAR WEIGHT (Da) | 1091.1800 |
| ACCURATE MASS (Da) | 1090.5394 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Marinobacter |
| ORIGIN SPECIES | sp. |
| InChIKey | VXAHFURSEPZVNB-KTKRTIGZSA-N |
| InChI | InChI=1S/C46H78N10O20/c1-4-5-6-7-8-9-10-11-12-13-14-19-36(63)54-37(38(64)46(73)74)44(70)53-34(26-59)43(69)52-32(24-57)41(67)49-30(20-21-35(47)62)40(66)48-29(17-15-22-55(75)27(2)60)39(65)51-33(25-58)42(68)50-31(45(71)72)18-16-23-56(76)28(3)61/h9-10,29-34,37-38,57-59,64,75-76H,4-8,11-26H2,1-3H3,(H2,47,62)(H,48,66)(H,49,67)(H,50,68)(H,51,65)(H,52,69)(H,53,70)(H,54,63)(H,71,72)(H,73,74)/b10-9- |
| SMILES | CCCCCC/C=C\CCCCCC(=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 |
