Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021217
PROPERTIES
| NPAID | NPA021217 |
|---|---|
| CLUSTER ID | 4738 |
| NODE ID | 3439 |
| NAME | Thiopeptin B |
| FORMULA | C72H84N18O18S6 |
| MOLECULAR WEIGHT (Da) | 1681.9740 |
| ACCURATE MASS (Da) | 1680.4535 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | tateyamaensis ATCC 21353 |
| InChIKey | IJQDLXUGOSXXAL-DVRIZHICSA-N |
| InChI | InChI=1S/C72H84N18O18S6/c1-14-26(3)47-61(102)76-29(6)55(96)73-27(4)54(95)74-30(7)57(98)90-72-19-18-40(65-84-43(22-111-65)58(99)75-28(5)56(97)77-31(8)68(104)105)80-52(72)42-21-112-66(82-42)49(34(11)108-69(106)41-20-37(32(9)91)36-16-17-39(78-47)51(94)50(36)79-41)88-63(109)46-25-113-67(85-46)53(71(13,107)35(12)93)89-60(101)44-23-110-64(83-44)38(15-2)81-62(103)48(33(10)92)87-59(100)45-24-114-70(72)86-45/h15-17,20-22,24-26,29-30,32-35,39,44,47-49,51-53,78,91-94,107H,4-5,8,14,18-19,23H2,1-3,6-7,9-13H3,(H,73,96)(H,74,95)(H,75,99)(H,76,102)(H,77,97)(H,81,103)(H,87,100)(H,88,109)(H,89,101)(H,90,98)(H,104,105)/b38-15+ |
| SMILES | CCC(C)C1C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)NC23CCC(=NC2C4=CSC(=N4)C(C(OC(=O)C5=NC6=C(C=CC(C6O)N1)C(=C5)C(C)O)C)NC(=S)C7=CSC(=N7)C(NC(=O)C8CSC(=N8)/C(=C\C)/NC(=O)C(NC(=O)C9=CSC3=N9)C(C)O)C(C)(C(C)O)O)C1=NC(=CS1)C(=O)NC(=C)C(=O)NC(=C)C(=O)O)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Miyairi N; Miyoshi T; Aoki H; Kosaka M; Ikushima H Studies on thiopeptin antibiotics. I. Characteristics of thiopeptin B. Journal of Antibiotics 1970 23 (3) 113-119. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.23.113 | PMID | 5453305 |
