Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027313
PROPERTIES
| NPAID | NPA027313 |
|---|---|
| CLUSTER ID | 867 |
| NODE ID | 141 |
| NAME | Calophycin |
| FORMULA | C56H96N16O16 |
| MOLECULAR WEIGHT (Da) | 1249.4800 |
| ACCURATE MASS (Da) | 1248.7190 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Calothrix |
| ORIGIN SPECIES | fusca |
| InChIKey | UAZZFDUYHPLRJY-IXSJMJCZSA-N |
| InChI | InChI=1S/C56H96N16O16/c1-7-8-9-10-11-12-13-14-15-16-19-31(4)45-46(79)53(86)69-44(30(2)3)52(85)64-32(5)47(80)67-36(27-43(77)78)50(83)68-35(26-40(58)74)49(82)66-33(22-23-39(57)73)48(81)63-29-42(76)65-34(20-17-24-62-56(60)61)54(87)71(6)38(28-41(59)75)55(88)72-25-18-21-37(72)51(84)70-45/h30-38,44-46,79H,7-29H2,1-6H3,(H2,57,73)(H2,58,74)(H2,59,75)(H,63,81)(H,64,85)(H,65,76)(H,66,82)(H,67,80)(H,68,83)(H,69,86)(H,70,84)(H,77,78)(H4,60,61,62)/t31-,32+,33+,34+,35+,36+,37-,38+,44-,45+,46+/m0/s1 |
| SMILES | CCCCCCCCCCCC[C@H](C)[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(N)=O)N(C)C(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Moon S; Chen J; Moore R; Patterson G Calophycin, a fungicidal cyclic decapeptide from the terrestrial blue-green alga Calothrix fusca Journal of Organic Chemistry 1992 57 (4) 1097-1103. | ||
|---|---|---|---|
| DOI | 10.1021/jo00030a013 | PMID | - |
