Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577765 | Gold | 3 |
COMPOUND NPA020060
PROPERTIES
| NPAID | NPA020060 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Tyrocidine A |
| FORMULA | C66H87N13O13 |
| MOLECULAR WEIGHT (Da) | 1270.5000 |
| ACCURATE MASS (Da) | 1269.6546 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | brevis ATCC 8185 |
| InChIKey | GSXRBRIWJGAPDU-BBVRJQLQSA-N |
| InChI | InChI=1S/C66H87N13O13/c1-38(2)32-47-59(85)77-52(36-42-20-12-7-13-21-42)66(92)79-31-15-23-53(79)64(90)76-49(34-41-18-10-6-11-19-41)61(87)74-48(33-40-16-8-5-9-17-40)60(86)75-51(37-55(69)82)62(88)70-46(28-29-54(68)81)58(84)73-50(35-43-24-26-44(80)27-25-43)63(89)78-56(39(3)4)65(91)71-45(22-14-30-67)57(83)72-47/h5-13,16-21,24-27,38-39,45-53,56,80H,14-15,22-23,28-37,67H2,1-4H3,(H2,68,81)(H2,69,82)(H,70,88)(H,71,91)(H,72,83)(H,73,84)(H,74,87)(H,75,86)(H,76,90)(H,77,85)(H,78,89)/t45-,46-,47-,48+,49-,50-,51-,52+,53-,56-/m0/s1 |
| SMILES | CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=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)N[C@H](C(=O)N1)CCCN)C(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(=O)N)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Paladini, A; Craig LC The Chemistry of Tyrocidine. III. The Structure of Tyrocidine A. Journal of the American Chemical Society 1954 76 (3) 688-692. | ||
|---|---|---|---|
| DOI | 10.1021/ja01632a015 | PMID | - |
