Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009940
PROPERTIES
| NPAID | NPA009940 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 26 |
| NAME | Cyclochlorotine |
| FORMULA | C24H31Cl2N5O7 |
| MOLECULAR WEIGHT (Da) | 572.4460 |
| ACCURATE MASS (Da) | 571.1601 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | islandicum |
| InChIKey | PMBVHCCVEPYDSN-BADCMNFISA-N |
| InChI | InChI=1S/C24H31Cl2N5O7/c1-2-14-21(35)30-16(10-32)22(36)29-15(12-6-4-3-5-7-12)8-18(34)27-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)28-14/h3-7,13-17,19-20,32-33H,2,8-11H2,1H3,(H,27,34)(H,28,37)(H,29,36)(H,30,35)/t13-,14+,15-,16+,17+,19-,20+/m1/s1 |
| SMILES | CC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CC(=O)N[C@H](C(=O)N2C[C@H]([C@H]([C@H]2C(=O)N1)Cl)Cl)CO)C3=CC=CC=C3)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yoshioka, Hiroshi; Nakatsu, Kazumi; Sato, Motomu; Tatsuno, Takashi The molecular structure of cyclochlorotine, a toxic chlorine-containing cyclic pentapeptide Chemistry Letters 1973 2 (12) 1319-1322. | ||
|---|---|---|---|
| DOI | 10.1246/cl.1973.1319 | PMID | - |
