Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012109
PROPERTIES
| NPAID | NPA012109 |
|---|---|
| CLUSTER ID | 2121 |
| NODE ID | 1694 |
| NAME | Sanglifehrin B |
| FORMULA | C60H89N5O12 |
| MOLECULAR WEIGHT (Da) | 1072.3950 |
| ACCURATE MASS (Da) | 1071.6508 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. A92-308110 |
| InChIKey | OOMJFCAHDKEMST-OUDVSWMGSA-N |
| InChI | InChI=1S/C60H89N5O12/c1-11-43-32-40(8)60(63-55(43)71)39(7)31-38(6)52(77-60)34-50(69)36(4)21-14-12-15-22-37(5)51-27-17-13-16-25-48(67)42(10)54(70)45(29-28-41(9)66)56(72)62-53(35(2)3)57(73)61-47(33-44-23-18-19-26-49(44)68)58(74)65-30-20-24-46(64-65)59(75)76-51/h12-13,15-19,22-23,25-26,31,35-36,38,40,42-43,45-48,50-54,64,67-70H,11,14,20-21,24,27-30,32-34H2,1-10H3,(H,61,73)(H,62,72)(H,63,71)/b15-12+,17-13+,25-16+,37-22+/t36-,38+,40-,42-,43-,45+,46-,47-,48-,50-,51-,52-,53-,54+,60-/m0/s1 |
| SMILES | CC[C@H]1C[C@@H]([C@@]2(C(=C[C@H]([C@@H](O2)C[C@@H]([C@@H](C)CC/C=C/C=C(\C)/[C@@H]3C/C=C/C=C/[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O3)CC5=CC=CC=C5O)C(C)C)CCC(=O)C)O)C)O)O)C)C)NC1=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fehr, Theodor; Kallen, JOeRG; Oberer, Lukas; Sanglier, Jean-Jacques; Schilling, Wolfgang Sanglifehrins A, B, C and D, novel cyclophilin-binding compounds isolated from Streptomyces sp. A92-308110. II. Structure elucidation, stereochemistry and physico-chemical properties Journal of Antibiotics 1999 52 (5) 474-479. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.52.474 | PMID | 10480571 |
