Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA036444
PROPERTIES
| NPAID | NPA036444 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Iturin A |
| FORMULA | C48H74N12O14 |
| MOLECULAR WEIGHT (Da) | 1043.1900 |
| ACCURATE MASS (Da) | 1042.5447 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | velezensis |
| InChIKey | RDUGMXONDQDIRN-UHFFFAOYSA-N |
| InChI | InChI=1S/C48H74N12O14/c1-26(2)10-7-5-3-4-6-8-11-28-21-41(67)54-32(22-38(50)64)43(69)56-31(20-27-13-15-29(62)16-14-27)42(68)57-33(23-39(51)65)44(70)55-30(17-18-37(49)63)48(74)60-19-9-12-36(60)47(73)58-34(24-40(52)66)45(71)59-35(25-61)46(72)53-28/h13-16,26,28,30-36,61-62H,3-12,17-25H2,1-2H3,(H2,49,63)(H2,50,64)(H2,51,65)(H2,52,66)(H,53,72)(H,54,67)(H,55,70)(H,56,69)(H,57,68)(H,58,73)(H,59,71) |
| SMILES | CC(C)CCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)N2CCCC2C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)N1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Xiong, Zirui Ray; Cobo, Mario; Whittal, Randy M; Snyder, Abigail B; Worobo, Randy W Purification and characterization of antifungal lipopeptide produced by Bacillus velezensis isolated from raw honey. PLoS One 2022 17 (4) e0266470. | ||
|---|---|---|---|
| DOI | 10.1371/journal.pone.0266470 | PMID | 35385565 |
