Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000531481 | Gold | 3!CCMSLIB00000078176 |
| CCMSLIB00006718021 | Gold | 1 |
| CCMSLIB00010114025 | Gold | 3 |
| CCMSLIB00010114026 | Gold | 3 |
| CCMSLIB00010114027 | Gold | 3 |
| CCMSLIB00010114028 | Gold | 3 |
| CCMSLIB00010125353 | Gold | 3 |
| CCMSLIB00010125350 | Gold | 3 |
| CCMSLIB00010125351 | Gold | 3 |
| CCMSLIB00010125352 | Gold | 3 |
| CCMSLIB00010109865 | Gold | 3 |
| CCMSLIB00010109866 | Gold | 3 |
| CCMSLIB00010109867 | Gold | 3 |
| CCMSLIB00010109868 | Gold | 3 |
| CCMSLIB00010121205 | Gold | 3 |
| CCMSLIB00010121206 | Gold | 3 |
| CCMSLIB00010121207 | Gold | 3 |
| CCMSLIB00010121208 | Gold | 3 |
COMPOUND NPA017720
PROPERTIES
| NPAID | NPA017720 |
|---|---|
| CLUSTER ID | 1715 |
| NODE ID | 97 |
| NAME | Cyclosporin A |
| FORMULA | C62H111N11O12 |
| MOLECULAR WEIGHT (Da) | 1202.6350 |
| ACCURATE MASS (Da) | 1201.8414 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | polysporum |
| InChIKey | PMATZTZNYRCHOR-CGLBZJNRSA-N |
| InChI | InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 |
| SMILES | CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Rüegger, A; Kuhn, M; Lichti, H; Loosli, H R; Huguenin, R; Quiquerez, C; von Wartburg, A Cyclosporin A, a Peptide Metabolite from Trichoderma polysporum (Link ex Pers.) Rifai, with a remarkable immunosuppressive activity Helvetica Chimica Acta 1976 59 (4) 1075-1092. | ||
|---|---|---|---|
| DOI | 10.1002/hlca.19760590412 | PMID | 950308 |
