Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012783
PROPERTIES
| NPAID | NPA012783 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Maribasin A |
| FORMULA | C49H76N12O14 |
| MOLECULAR WEIGHT (Da) | 1057.2170 |
| ACCURATE MASS (Da) | 1056.5604 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | marinus B-9987 |
| InChIKey | GOTAHJWMHYHCMJ-QELNVSPYSA-N |
| InChI | InChI=1S/C49H76N12O14/c1-27(2)11-8-6-4-3-5-7-9-12-29-22-42(68)55-33(23-39(51)65)44(70)57-32(21-28-14-16-30(63)17-15-28)43(69)58-35(25-41(53)67)46(72)60-36(26-62)47(73)59-34(24-40(52)66)45(71)56-31(18-19-38(50)64)49(75)61-20-10-13-37(61)48(74)54-29/h14-17,27,29,31-37,62-63H,3-13,18-26H2,1-2H3,(H2,50,64)(H2,51,65)(H2,52,66)(H2,53,67)(H,54,74)(H,55,68)(H,56,71)(H,57,70)(H,58,69)(H,59,73)(H,60,72)/t29-,31+,32-,33-,34+,35-,36+,37-/m1/s1 |
| SMILES | CC(C)CCCCCCCCC[C@@H]1CC(=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)N2CCC[C@@H]2C(=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 | Zhang, Dao-Jing; Liu, Rong-Feng; Li, Yuan-Guang; Tao, Li-Ming; Tian, Li Two new antifungal cyclic lipopeptides from Bacillus marinus B-9987 Chemical and Pharmaceutical Bulletin 2010 58 (12) 1630-1634. | ||
|---|---|---|---|
| DOI | 10.1248/cpb.58.1630 | PMID | 21139268 |
