Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA009788
PROPERTIES
NPAID | NPA009788 |
---|---|
CLUSTER ID | 248 |
NODE ID | 11 |
NAME | Marinobactin-D1 |
FORMULA | C44H75N9O16 |
MOLECULAR WEIGHT (Da) | 986.1310 |
ACCURATE MASS (Da) | 985.5332 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Marinobacter |
ORIGIN SPECIES | sp. |
InChIKey | OCPXGGLXMCBXGP-OKIGRURVSA-N |
InChI | InChI=1S/C44H75N9O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-35(58)51-36-37(59)43(65)45-23-22-31(47-42(36)64)39(61)50-33(26-54)40(62)46-30(19-17-24-52(68)28(2)56)38(60)49-34(27-55)41(63)48-32(44(66)67)20-18-25-53(69)29(3)57/h9-10,30-34,36-37,54-55,59,68-69H,4-8,11-27H2,1-3H3,(H,45,65)(H,46,62)(H,47,64)(H,48,63)(H,49,60)(H,50,61)(H,51,58)(H,66,67)/b10-9-/t30-,31+,32+,33-,34+,36-,37-/m1/s1 |
SMILES | CCCCCC/C=C\CCCCCCCC(=O)N[C@@H]1[C@H](C(=O)NCC[C@H](NC1=O)C(=O)N[C@H](CO)C(=O)N[C@H](CCCN(C(=O)C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN(C(=O)C)O)C(=O)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Martinez, J. S. Self-Assembling Amphiphilic Siderophores from Marine Bacteria Science 2000 287 (5456) 1245-1247. | ||
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DOI | 10.1126/science.287.5456.1245 | PMID | 10678827 |