Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000424833 | Bronze | Puwainaphycin&C |
| CCMSLIB00000424834 | Bronze | Puwainaphycin&C |
| CCMSLIB00000577548 | Gold | 3 |
COMPOUND NPA016353
PROPERTIES
| NPAID | NPA016353 |
|---|---|
| CLUSTER ID | 867 |
| NODE ID | 141 |
| NAME | Puwainaphycin C |
| FORMULA | C56H95ClN12O16 |
| MOLECULAR WEIGHT (Da) | 1227.8970 |
| ACCURATE MASS (Da) | 1226.6678 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp. |
| InChIKey | LLZGZWBVBWCMRA-RHQFVSDJSA-N |
| InChI | InChI=1S/C56H95ClN12O16/c1-11-34(57)22-19-17-15-13-14-16-18-21-30(5)43-47(75)54(82)64-42(29(3)4)51(79)61-35(12-2)49(77)66-45(32(7)71)53(81)67-44(31(6)70)52(80)62-36(24-25-39(58)72)48(76)60-28-41(74)63-46(33(8)85-10)56(84)68(9)38(27-40(59)73)55(83)69-26-20-23-37(69)50(78)65-43/h12,29-34,36-38,42-47,70-71,75H,11,13-28H2,1-10H3,(H2,58,72)(H2,59,73)(H,60,76)(H,61,79)(H,62,80)(H,63,74)(H,64,82)(H,65,78)(H,66,77)(H,67,81)/b35-12+ |
| SMILES | CCC(CCCCCCCCCC(C)C1C(C(=O)NC(C(=O)N/C(=C/C)/C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)N1)CC(=O)N)C)C(C)OC)CCC(=O)N)C(C)O)C(C)O)C(C)C)O)Cl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Moore; Bornemann; Niemczura; Gregson; Chen; Norton; Patterson; Helms Puwainaphycin C, a cardioactive cyclic peptide from the blue-green alga Anabaena BQ-16-1. Use of two-dimensional 13C-13C and 13C-15N correlation spectroscopy in sequencing the amino acid units Journal of the American Chemical Society 1989 111 (16) 6128-6132. | ||
|---|---|---|---|
| DOI | 10.1021/ja00198a021 | PMID | - |
