Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011357
PROPERTIES
| NPAID | NPA011357 |
|---|---|
| CLUSTER ID | 2798 |
| NODE ID | 2160 |
| NAME | Crocacin |
| FORMULA | C31H42N2O6 |
| MOLECULAR WEIGHT (Da) | 538.6850 |
| ACCURATE MASS (Da) | 538.3043 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Chondromyces |
| ORIGIN SPECIES | crocatus |
| InChIKey | XHTUDGVBJDVOEZ-WKRSYQPHSA-N |
| InChI | InChI=1S/C31H42N2O6/c1-23(21-29(35)32-20-12-8-11-15-28(34)33-22-30(36)38-5)16-17-24(2)31(39-6)25(3)27(37-4)19-18-26-13-9-7-10-14-26/h7,9-21,24-25,27,31H,8,22H2,1-6H3,(H,32,35)(H,33,34)/b15-11-,17-16+,19-18+,20-12-,23-21+ |
| SMILES | CC(/C=C/C(=C/C(=O)N/C=C\C/C=C\C(=O)NCC(=O)OC)/C)C(C(C)C(/C=C/C1=CC=CC=C1)OC)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kunze; Jansen; Hofle; Reichenbach Crocacin, a new electron transport inhibitor from Chondromyces crocatus (myxobacteria). Production, isolation, physico-chemical and biological properties Journal of Antibiotics 1994 47 (8) 881-886. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.47.875 | PMID | 7928673 |
SYNTHESES
| CITATION 1 | Müller S; Rachid S; Hoffmann T; Surup F; Volz C; Zaburannyi N; Müller R Biosynthesis of crocacin involves an unusual hydrolytic release domain showing similarity to condensation domains. Chemistry & Biology 2014 21 (7) 855-865. DOI: 10.1016/j.chembiol.2014.05.012 PMID: 24981773 | ||
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