Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000848827 | Gold | 1!CCMSLIB00000848828 |
| CCMSLIB00005721308 | Gold | 3 |
| CCMSLIB00005721309 | Gold | 3 |
| CCMSLIB00012134130 | Gold | 4 |
| CCMSLIB00012134129 | Gold | 4 |
| CCMSLIB00009973927 | Gold | 4 |
| CCMSLIB00009973926 | Gold | 4 |
COMPOUND NPA013836
PROPERTIES
| NPAID | NPA013836 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Bacillopeptin B |
| FORMULA | C47H74N10O16 |
| MOLECULAR WEIGHT (Da) | 1035.1630 |
| ACCURATE MASS (Da) | 1034.5284 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | sp. SNA-60-367 |
| InChIKey | GVLISDGZEVBRHD-DMKJRJMVSA-N |
| InChI | InChI=1S/C47H74N10O16/c1-25(2)11-9-7-5-4-6-8-10-12-28-20-38(64)51-32(21-36(48)62)43(69)53-31(19-27-13-15-29(61)16-14-27)42(68)54-33(22-37(49)63)44(70)56-34(23-58)45(71)52-30(17-18-39(65)66)41(67)55-35(24-59)46(72)57-40(26(3)60)47(73)50-28/h13-16,25-26,28,30-35,40,58-61H,4-12,17-24H2,1-3H3,(H2,48,62)(H2,49,63)(H,50,73)(H,51,64)(H,52,71)(H,53,69)(H,54,68)(H,55,67)(H,56,70)(H,57,72)(H,65,66)/t26-,28?,30+,31-,32+,33-,34+,35-,40+/m1/s1 |
| SMILES | C[C@H]([C@H]1C(=O)NC(CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CO)CCC(=O)O)CO)CC(=O)N)CC2=CC=C(C=C2)O)CC(=O)N)CCCCCCCCCC(C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kajimura; Sugiyama; Kaneda Bacillopeptins, new cyclic lipopeptide antibiotics from Bacillus subtilis FR-2 Journal of Antibiotics 1995 48 (10) 1095-1103. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.48.1095 | PMID | 7490214 |
