Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025744
PROPERTIES
| NPAID | NPA025744 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Kyanamide |
| FORMULA | C52H73N9O11 |
| MOLECULAR WEIGHT (Da) | 1000.2080 |
| ACCURATE MASS (Da) | 999.5430 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Caldora |
| ORIGIN SPECIES | penicillata |
| InChIKey | JVVDUOFFWLHVFE-NUOSYCILSA-N |
| InChI | InChI=1S/C52H73N9O11/c1-8-9-11-20-42(63)55-36(21-23-41(53)62)46(65)59-45-31(6)72-52(71)44(30(4)5)58-48(67)39(27-33-28-54-35-19-15-14-18-34(33)35)60(7)51(70)40(26-32-16-12-10-13-17-32)61-43(64)24-22-37(50(61)69)56-47(66)38(25-29(2)3)57-49(45)68/h10,12-19,28-31,36-40,43-45,54,64H,8-9,11,20-27H2,1-7H3,(H2,53,62)(H,55,63)(H,56,66)(H,57,68)(H,58,67)(H,59,65)/t31-,36+,37+,38+,39+,40+,43-,44+,45+/m1/s1 |
| SMILES | CCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](CC2=CC=CC=C2)C(=O)N(C)[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ozaki, Kaori; Iwasaki, Arihiro; Suenaga, Kiyotake; Teruya, Toshiaki Kyanamide, a new Ahp-containing depsipeptide from marine cyanobacterium Caldora penicillata Tetrahedron 2019 75 (25) 3382-3386. | ||
|---|---|---|---|
| DOI | 10.1016/j.tet.2019.04.046 | PMID | - |
