Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003607
PROPERTIES
| NPAID | NPA003607 |
|---|---|
| CLUSTER ID | 1979 |
| NODE ID | 1589 |
| NAME | Crocadepsin A |
| FORMULA | C40H50ClN7O13 |
| MOLECULAR WEIGHT (Da) | 872.3290 |
| ACCURATE MASS (Da) | 871.3155 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Chondromyces |
| ORIGIN SPECIES | crocatus strain Cmc5 |
| InChIKey | LACPFJTYQYYLPY-AYUSDXEPSA-N |
| InChI | InChI=1S/C40H50ClN7O13/c1-5-24(45-27(49)14-11-21-9-7-6-8-10-21)37(56)47-30-32(52)20(3)36(55)48-31(33(53)35(43)54)39(58)44-16-15-19(2)29(42)38(57)46-25(18-28(50)51)40(59)61-34(30)22-12-13-26(60-4)23(41)17-22/h5-14,17,19-20,25,29-34,52-53H,15-16,18,42H2,1-4H3,(H2,43,54)(H,44,58)(H,45,49)(H,46,57)(H,47,56)(H,48,55)(H,50,51)/b14-11+,24-5-/t19-,20-,25-,29-,30+,31-,32-,33+,34+/m0/s1 |
| SMILES | C/C=C(/C(=O)N[C@@H]1[C@H]([C@@H](C(=O)N[C@H](C(=O)NCC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O[C@@H]1C2=CC(=C(C=C2)OC)Cl)CC(=O)O)N)C)[C@H](C(=O)N)O)C)O)\NC(=O)/C=C/C3=CC=CC=C3 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Surup F; Viehrig K; Rachid S; Plaza A; Maurer CK; Hartmann RW; Müller R Crocadepsins-Depsipeptides from the Myxobacterium Chondromyces crocatus Found by a Genome Mining Approach ACS Chemical Biology 2018 13 (1) 267-272. | ||
|---|---|---|---|
| DOI | 10.1021/acschembio.7b00900 | PMID | 29220569 |
