Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA004788
PROPERTIES
NPAID | NPA004788 |
---|---|
CLUSTER ID | 1021 |
NODE ID | 880 |
NAME | Aerucyclamide D |
FORMULA | C26H30N6O4S3 |
MOLECULAR WEIGHT (Da) | 586.7650 |
ACCURATE MASS (Da) | 586.1491 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Microcystis |
ORIGIN SPECIES | aeruginosa PCC 7806 |
InChIKey | MLBROOJXUZKDHY-PKPICYNOSA-N |
InChI | InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1 |
SMILES | C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC |
ORIGINAL ISOLATION REFERENCE
CITATION | Portmann, Cyril; Blom, Judith F.; Kaiser, Marcel; Brun, Reto; Juettner, Friedrich; Gademann, Karl Isolation of aerucyclamides C and D and structure revision of microcyclamide 7806A: Heterocyclic ribosomal peptides from Microcystis aeruginosa PCC 7806 and their antiparasite evaluation Journal of Natural Products 2008 71 (11) 1891-1896. | ||
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DOI | 10.1021/np800409z | PMID | 18973386 |