Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027263
PROPERTIES
| NPAID | NPA027263 |
|---|---|
| CLUSTER ID | 867 |
| NODE ID | 141 |
| NAME | Puwainaphycin E |
| FORMULA | C56H96N12O16 |
| MOLECULAR WEIGHT (Da) | 1193.4520 |
| ACCURATE MASS (Da) | 1192.7067 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Anabaena |
| ORIGIN SPECIES | sp. BQ-16-1 |
| InChIKey | DZUUDVQOVMOBOV-CWOLWASFSA-N |
| InChI | InChI=1S/C56H96N12O16/c1-11-13-14-15-16-17-18-19-20-21-23-31(5)43-47(74)54(81)63-42(30(3)4)51(78)60-35(12-2)49(76)65-45(33(7)70)53(80)66-44(32(6)69)52(79)61-36(25-26-39(57)71)48(75)59-29-41(73)62-46(34(8)84-10)56(83)67(9)38(28-40(58)72)55(82)68-27-22-24-37(68)50(77)64-43/h12,30-34,36-38,42-47,69-70,74H,11,13-29H2,1-10H3,(H2,57,71)(H2,58,72)(H,59,75)(H,60,78)(H,61,79)(H,62,73)(H,63,81)(H,64,77)(H,65,76)(H,66,80)/b35-12+/t31-,32-,33-,34?,36-,37-,38-,42-,43+,44-,45-,46-,47+/m0/s1 |
| SMILES | C/C=C1/NC(=O)[C@H](C(C)C)NC(=O)[C@H](O)[C@@H]([C@@H](C)CCCCCCCCCCCC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](C(C)OC)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H]([C@H](C)O)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gregson J; Chen J; Patterson G; Moore R Structures of puwainaphycins A–E Tetrahedron 1992 48 (18) 3727-3734. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4020(01)92264-1 | PMID | - |
