Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028482
PROPERTIES
| NPAID | NPA028482 |
|---|---|
| CLUSTER ID | 6511 |
| NODE ID | 141 |
| NAME | PA48009 |
| FORMULA | C88H123N23O25S3 |
| MOLECULAR WEIGHT (Da) | 1999.2890 |
| ACCURATE MASS (Da) | 1997.8223 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptoverticillium |
| ORIGIN SPECIES | griseoverticillatum PA-48009 |
| InChIKey | BPIFGBWRBGTMHX-CREJVHTASA-N |
| InChI | InChI=1S/C88H123N23O25S3/c1-44(2)67-85(131)107-60-42-138-41-59-80(126)106-61-43-139-45(3)68(86(132)102-55(76(122)108-67)34-48-22-11-6-12-23-48)109-77(123)54(33-47-20-9-5-10-21-47)101-83(129)62-26-17-31-111(62)66(115)38-95-72(118)53(32-46-18-7-4-8-19-46)100-78(124)57(103-81(61)127)36-93-30-16-14-25-52(87(133)134)99-79(125)58(105-75(121)56(35-64(92)113)96-65(114)37-94-84(130)69(110-82(60)128)70(116)88(135)136)40-137-39-49(90)71(117)97-50(24-13-15-29-89)73(119)98-51(74(120)104-59)27-28-63(91)112/h4-12,18-23,44-45,49-62,67-70,93,116H,13-17,24-43,89-90H2,1-3H3,(H2,91,112)(H2,92,113)(H,94,130)(H,95,118)(H,96,114)(H,97,117)(H,98,119)(H,99,125)(H,100,124)(H,101,129)(H,102,132)(H,103,127)(H,104,120)(H,105,121)(H,106,126)(H,107,131)(H,108,122)(H,109,123)(H,110,128)(H,133,134)(H,135,136)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58+,59+,60-,61-,62-,67-,68+,69-,70-/m0/s1 |
| SMILES | CC(C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]3CNCCCC[C@@H](C(=O)O)NC(=O)[C@H]4CSC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CSC[C@H](NC1=O)C(=O)N[C@@H]([C@H](O)C(=O)O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N4)C(=O)N[C@@H](CS[C@H]2C)C(=O)N3 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hayashi F; Nagashima K; Terui Y; Kawamura Y; Matsumoto K; Itazaki H The structure of PA48009: the revised structure of duramycin. Journal of Antibiotics 1990 43 (11) 1421-1430. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.43.1421 | PMID | 2272918 |
