Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA029127
PROPERTIES
NPAID | NPA029127 |
---|---|
CLUSTER ID | 3041 |
NODE ID | 2329 |
NAME | Conglobatin B1 |
FORMULA | C27H36N2O6 |
MOLECULAR WEIGHT (Da) | 484.5930 |
ACCURATE MASS (Da) | 484.2573 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | conglobatus ATCC 31005 |
InChIKey | ZSFACGJIQJJPDW-MWWGJRGRSA-N |
InChI | InChI=1S/C27H36N2O6/c1-17-9-20(4)25(12-23-14-29-16-33-23)35-26(30)19(3)8-6-7-18(2)24(11-22-13-28-15-32-22)34-27(31)21(5)10-17/h8,10,13-18,20,24-25H,6-7,9,11-12H2,1-5H3/b19-8+,21-10+/t17-,18+,20+,24+,25+/m1/s1 |
SMILES | C/C1=C\[C@H](C)C[C@H](C)[C@H](CC2=CN=CO2)OC(=O)/C(C)=C/CC[C@H](C)[C@H](CC2=CN=CO2)OC1=O |
ORIGINAL ISOLATION REFERENCE
CITATION | Lacey, Heather J.; Booth, Thomas J.; Vuong, Daniel; Rutledge, Peter J.; Lacey, Ernest; Chooi, Yit-Heng; Piggott, Andrew M. Conglobatins B–E: cytotoxic analogues of the C2-symmetric macrodiolide conglobatin Journal of Antibiotics 2020 73 (11) 756-765. | ||
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DOI | 10.1038/s41429-020-0332-3 | PMID | 32555501 |