Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028409
PROPERTIES
| NPAID | NPA028409 |
|---|---|
| CLUSTER ID | 8497 |
| NODE ID | 141 |
| NAME | Citrulassin A |
| FORMULA | C69H120N20O21 |
| MOLECULAR WEIGHT (Da) | 1565.8380 |
| ACCURATE MASS (Da) | 1564.8937 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | albulus NRRL B-3066 |
| InChIKey | JYSBHGIINWQTOH-JHTNTUONSA-N |
| InChI | InChI=1S/C69H120N20O21/c1-32(2)21-41-57(97)76-30-54(95)79-42(22-33(3)4)60(100)77-38(13)56(96)75-29-53(94)80-46(26-50(71)91)63(103)85-47(28-52(93)78-43(23-34(5)6)61(101)83-41)64(104)81-40(18-16-20-74-69(73)110)58(98)84-45(25-36(9)10)65(105)89-55(37(11)12)67(107)86-44(24-35(7)8)62(102)88-49(31-90)66(106)82-39(17-14-15-19-70)59(99)87-48(68(108)109)27-51(72)92/h32-49,55,90H,14-31,70H2,1-13H3,(H2,71,91)(H2,72,92)(H,75,96)(H,76,97)(H,77,100)(H,78,93)(H,79,95)(H,80,94)(H,81,104)(H,82,106)(H,83,101)(H,84,98)(H,85,103)(H,86,107)(H,87,99)(H,88,102)(H,89,105)(H,108,109)(H3,73,74,110)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,55-/m0/s1 |
| SMILES | CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tietz JI; Schwalen CJ; Patel PS; Maxson T; Blair PM; Tai HC; Zakai UI; Mitchell DA A new genome-mining tool redefines the lasso peptide biosynthetic landscape. Nature Chemical Biology 2017 13 (5) 470-478. | ||
|---|---|---|---|
| DOI | 10.1038/nchembio.2319 | PMID | 28244986 |
