Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000078984 | Gold | TACROLIMUS |
| CCMSLIB00000570451 | Bronze | MoNA:603779&Tacrolimus |
| CCMSLIB00000572346 | Bronze | MoNA:595363&Tacrolimus |
| CCMSLIB00000572386 | Bronze | MoNA:603925&Tacrolimus |
| CCMSLIB00000572393 | Bronze | MoNA:605763&Tacrolimus |
| CCMSLIB00000572577 | Bronze | MoNA:603803&Tacrolimus |
| CCMSLIB00000572666 | Bronze | MoNA:603779&Tacrolimus |
| CCMSLIB00000572825 | Bronze | MoNA:604075&Tacrolimus |
| CCMSLIB00000572829 | Bronze | MoNA:594286&Tacrolimus |
| CCMSLIB00000572843 | Bronze | MoNA:606845&Tacrolimus |
| CCMSLIB00004689825 | Bronze | TACROLIMUS |
| CCMSLIB00004689826 | Bronze | TACROLIMUS |
| CCMSLIB00000572558 | Bronze | MoNA:603812&Tacrolimus |
| CCMSLIB00005734766 | Gold | 3 |
| CCMSLIB00005733927 | Gold | 3 |
| CCMSLIB00005731968 | Gold | 3 |
| CCMSLIB00005736390 | Gold | 3 |
| CCMSLIB00005730604 | Gold | 3 |
| CCMSLIB00005732247 | Gold | 3 |
| CCMSLIB00005730146 | Gold | 3 |
| CCMSLIB00005731407 | Gold | 3 |
| CCMSLIB00005731901 | Gold | 3 |
COMPOUND NPA019402
PROPERTIES
| NPAID | NPA019402 |
|---|---|
| CLUSTER ID | 1331 |
| NODE ID | 1123 |
| NAME | Tacrolimus |
| FORMULA | C44H69NO12 |
| MOLECULAR WEIGHT (Da) | 804.0310 |
| ACCURATE MASS (Da) | 803.4820 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | tsukubaensis no. 9993 |
| InChIKey | QJJXYPPXXYFBGM-ONLNQCGCSA-N |
| InChI | InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39-,40+,44+/m0/s1 |
| SMILES | C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tanaka, Hirokazu; Kuroda, Akio; Marusawa, Hiroshi; Hatanaka, Hiroshi; Kino, Toru; Goto, Toshio; Hashimoto, Masashi; Taga, Toru Structure of FK506, a novel immunosuppressant isolated from Streptomyces Journal of the American Chemical Society 1987 109 (16) 5031-5033. | ||
|---|---|---|---|
| DOI | 10.1021/ja00250a050 | PMID | - |
