Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000078008 | Gold | Rapamycin&(Sirolimus) |
| CCMSLIB00010113426 | Gold | 3 |
| CCMSLIB00010113427 | Gold | 3 |
| CCMSLIB00010113428 | Gold | 3 |
| CCMSLIB00010124753 | Gold | 3 |
| CCMSLIB00010124754 | Gold | 3 |
| CCMSLIB00010124752 | Gold | 3 |
| CCMSLIB00010110635 | Gold | 3 |
| CCMSLIB00010110636 | Gold | 3 |
| CCMSLIB00010110637 | Gold | 3 |
| CCMSLIB00010110638 | Gold | 3 |
| CCMSLIB00010121974 | Gold | 3 |
| CCMSLIB00010121975 | Gold | 3 |
| CCMSLIB00010121976 | Gold | 3 |
| CCMSLIB00010121977 | Gold | 3 |
| CCMSLIB00008851479 | Gold | 3 |
COMPOUND NPA000414
PROPERTIES
| NPAID | NPA000414 |
|---|---|
| CLUSTER ID | 326 |
| NODE ID | 296 |
| NAME | Rapamycin |
| FORMULA | C51H79NO13 |
| MOLECULAR WEIGHT (Da) | 914.1870 |
| ACCURATE MASS (Da) | 913.5551 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | hygroscopicus NRRL 5491 |
| InChIKey | QFJCIRLUMZQUOT-HPLJOQBZSA-N |
| InChI | InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1 |
| SMILES | C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sehgal, S N; Baker, H; Vézina, C Rapamycin (AY-22,989), a new antifungal antibiotic. II. Fermentation, isolation and characterization Journal of Antibiotics 1975 28 (10) 727-732. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.28.727 | PMID | 1102509 |
SYNTHESES
| CITATION 1 | Maddess ML; Tackett MN; Watanabe H; Brennan PE; Spilling CD; Scott JS; Osborn DP; Ley SV Total synthesis of rapamycin. Angewandte Chemie International Edition 2007 46 (4) 591-7. DOI: 10.1002/anie.200604053 PMID: 17154218 | ||
|---|---|---|---|
| CITATION 2 | Ley SV; Tackett MN; Maddess ML; Anderson JC; Brennan PE; Cappi MW; Heer JP; Helgen C; Kori M; Kouklovsky C; Marsden SP; Norman J; Osborn DP; Palomero MA; Pavey JB; Pinel C; Robinson LA; Schnaubelt J; Scott JS; Spilling CD; Watanabe H; Wesson KE; Willis MC Total synthesis of rapamycin. Chemistry - A European Journal 2009 15 (12) 2874-914. DOI: 10.1002/chem.200801656 PMID: 19204960 | ||
