Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013246
PROPERTIES
| NPAID | NPA013246 |
|---|---|
| CLUSTER ID | 4876 |
| NODE ID | 141 |
| NAME | Aborycin |
| FORMULA | C97H131N23O26S4 |
| MOLECULAR WEIGHT (Da) | 2163.5180 |
| ACCURATE MASS (Da) | 2161.8518 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | griseoflavus T√ú 4072 |
| InChIKey | AJFZCVFYMNSDFP-UHFFFAOYSA-N |
| InChI | InChI=1S/C97H131N23O26S4/c1-11-50(8)80-94(142)103-40-75(126)107-67(42-121)90(138)116-70-45-149-150-46-71(93(141)112-63(32-54-22-16-13-17-23-54)87(135)115-66(97(145)146)34-56-37-99-59-25-19-18-24-58(56)59)117-95(143)78(48(4)5)120-96(144)79(49(6)7)119-82(130)52(10)105-85(133)61(33-55-26-28-57(122)29-27-55)106-74(125)39-102-84(132)68-43-147-148-44-69(91(139)110-60(30-47(2)3)83(131)101-41-77(128)118-80)108-73(124)36-65(114-88(136)64(35-72(98)123)113-92(70)140)89(137)111-62(31-53-20-14-12-15-21-53)86(134)104-51(9)81(129)100-38-76(127)109-68/h12-29,37,47-52,60-71,78-80,99,121-122H,11,30-36,38-46H2,1-10H3,(H2,98,123)(H,100,129)(H,101,131)(H,102,132)(H,103,142)(H,104,134)(H,105,133)(H,106,125)(H,107,126)(H,108,124)(H,109,127)(H,110,139)(H,111,137)(H,112,141)(H,113,140)(H,114,136)(H,115,135)(H,116,138)(H,117,143)(H,118,128)(H,119,130)(H,120,144)(H,145,146) |
| SMILES | CCC(C)C1C(=O)NCC(=O)NC(C(=O)NC2CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C3CSSCC(C(=O)NC(C(=O)NCC(=O)N1)CC(C)C)NC(=O)CC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N3)C)CC4=CC=CC=C4)NC(=O)C(NC2=O)CC(=O)N)CC5=CC=C(C=C5)O)C)C(C)C)C(C)C)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)O)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Potterat, Olivier; Stephan, Holger; Metzger, Jörg W.; Gnau, Volker; Zähner, Hans; Jung, Günther Aborycin - A Tricyclic 21-Peptide Antibiotic Isolated from Streptomyces griseoflavus Liebigs Annalen der Chemie 1994 1994 (7) 741-743. | ||
|---|---|---|---|
| DOI | 10.1002/jlac.199419940716 | PMID | - |
