Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024859
PROPERTIES
| NPAID | NPA024859 |
|---|---|
| CLUSTER ID | 7574 |
| NODE ID | 141 |
| NAME | Locillomycin C |
| FORMULA | C54H83N11O18 |
| MOLECULAR WEIGHT (Da) | 1174.3170 |
| ACCURATE MASS (Da) | 1173.5918 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | subtilis 916 |
| InChIKey | RTROBJGJIRFPPO-FICQDJQNSA-N |
| InChI | InChI=1S/C54H83N11O18/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-41(69)64-47-31(4)83-54(82)46(30(2)3)65-52(80)35(24-32-18-20-33(66)21-19-32)59-42(70)28-57-49(77)38(27-45(74)75)63-51(79)36(25-40(56)68)60-43(71)29-58-48(76)37(26-44(72)73)62-50(78)34(61-53(47)81)22-23-39(55)67/h18-21,30-31,34-38,46-47,66H,5-17,22-29H2,1-4H3,(H2,55,67)(H2,56,68)(H,57,77)(H,58,76)(H,59,70)(H,60,71)(H,61,81)(H,62,78)(H,63,79)(H,64,69)(H,65,80)(H,72,73)(H,74,75)/t31?,34-,35+,36+,37+,38+,46+,47+/m1/s1 |
| SMILES | CCCCCCCCCCCCCCC(=O)N[C@H]1C(OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC1=O)CCC(=O)N)CC(=O)O)CC(=O)N)CC(=O)O)CC2=CC=C(C=C2)O)C(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Luo C; Liu X; Zhou X; Guo J; Truong J; Wang X; Zhou H; Li X; Chen Z Unusual Biosynthesis and Structure of Locillomycins from Bacillus subtilis 916. Applied and Environmental Microbiology 2015 81 (19) 6601-6609. | ||
|---|---|---|---|
| DOI | 10.1128/AEM.01639-15 | PMID | 26162886 |
