Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010987
PROPERTIES
| NPAID | NPA010987 |
|---|---|
| CLUSTER ID | 4310 |
| NODE ID | 3177 |
| NAME | AIP I |
| FORMULA | C43H60N8O13S2 |
| MOLECULAR WEIGHT (Da) | 961.1300 |
| ACCURATE MASS (Da) | 960.3721 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Staphylococcus |
| ORIGIN SPECIES | aureus |
| InChIKey | QPIROHVZMLYRNN-YRNJLPRFSA-N |
| InChI | InChI=1S/C43H60N8O13S2/c1-5-22(2)34-41(62)45-28(15-16-65-4)43(64)66-21-32(40(61)47-30(19-33(55)56)37(58)46-29(38(59)50-34)18-24-9-7-6-8-10-24)49-42(63)35(23(3)53)51-39(60)31(20-52)48-36(57)27(44)17-25-11-13-26(54)14-12-25/h6-14,22-23,27-32,34-35,52-54H,5,15-21,44H2,1-4H3,(H,45,62)(H,46,58)(H,47,61)(H,48,57)(H,49,63)(H,50,59)(H,51,60)(H,55,56)/t22-,23+,27-,28-,29-,30-,31-,32-,34-,35-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)SC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)CCSC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ji,G; Beavis, R; Novick, RP Bacterial Interference Caused by Autoinducing Peptide Variants Science 1997 276 2027-2030. | ||
|---|---|---|---|
| DOI | 10.1126/science.276.5321.2027 | PMID | 9197262 |
