Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033449
PROPERTIES
| NPAID | NPA033449 |
|---|---|
| CLUSTER ID | 9625 |
| NODE ID | 6436 |
| NAME | Methanobactin |
| FORMULA | C44H58N12O16S5 |
| MOLECULAR WEIGHT (Da) | 1171.3510 |
| ACCURATE MASS (Da) | 1170.2697 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Methylosinus |
| ORIGIN SPECIES | trichosporium OB3b |
| InChIKey | XOADWJQVJWCREC-DZHAIUNBSA-N |
| InChI | InChI=1S/C44H58N12O16S5/c1-19(2)72-43(70)32-54-38(66)40(55-32)77-44(71)45-14-29(60)46-24(15-57)33(61)49-27-18-76-75-17-26(35(63)47-22(42(68)69)10-12-74-3)50-34(62)25(16-58)51-39(73)30-37(65)53-31(52-30)28-5-4-11-56(28)41(67)23(48-36(27)64)13-20-6-8-21(59)9-7-20/h6-9,19,22-28,57-59,65-66H,4-5,10-18H2,1-3H3,(H,45,71)(H,46,60)(H,47,63)(H,48,64)(H,49,61)(H,50,62)(H,51,73)(H,52,53)(H,54,55)(H,68,69)/t22-,23-,24-,25-,26-,27-,28?/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)SC2=C(O)[NH]C(C(=O)OC(C)C)=N2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N2CCCC2C2=NC(O)=C([NH]2)C(=S)N[C@@H](CO)C(=O)N1)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kim, Hyung J.; Graham, David W.; DiSpirito, Alan A.; Alterman, Michail A.; Galeva, Nadezhda; Larive, Cynthia K.; Asunskis, Dan; Sherwood, Peter M. A. Methanobactin, a copper-acquisition compound from methane-oxidizing bacteria Science 2004 305 (5690) 1612-1615. | ||
|---|---|---|---|
| DOI | 10.1126/science.1098322 | PMID | 15361623 |
