Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000394
PROPERTIES
| NPAID | NPA000394 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Marihysin A |
| FORMULA | C48H74N12O14 |
| MOLECULAR WEIGHT (Da) | 1043.1900 |
| ACCURATE MASS (Da) | 1042.5447 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | marinus B-9987 |
| InChIKey | PKVQGSJLTUPLBO-UHFFFAOYSA-N |
| InChI | InChI=1S/C48H74N12O14/c1-2-3-4-5-6-7-8-9-10-12-28-22-41(67)54-32(23-38(50)64)43(69)56-31(21-27-14-16-29(62)17-15-27)42(68)57-34(25-40(52)66)45(71)59-35(26-61)46(72)58-33(24-39(51)65)44(70)55-30(18-19-37(49)63)48(74)60-20-11-13-36(60)47(73)53-28/h14-17,28,30-36,61-62H,2-13,18-26H2,1H3,(H2,49,63)(H2,50,64)(H2,51,65)(H2,52,66)(H,53,73)(H,54,67)(H,55,70)(H,56,69)(H,57,68)(H,58,72)(H,59,71) |
| SMILES | CCCCCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)N1)CCC(=O)N)CC(=O)N)CO)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu, Rong-Feng; Zhang, Dao-Jing; Li, Yuan-Guang; Tao, Li-Ming; Tian, Li A New Antifungal Cyclic Lipopeptide from Bacillus marinus B-9987 Helvetica Chimica Acta 2010 93 (12) 2419-2425. | ||
|---|---|---|---|
| DOI | 10.1002/hlca.201000094 | PMID | - |
