Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003560
PROPERTIES
| NPAID | NPA003560 |
|---|---|
| CLUSTER ID | 396 |
| NODE ID | 356 |
| NAME | Malyngamide U |
| FORMULA | C23H39NO5 |
| MOLECULAR WEIGHT (Da) | 409.5670 |
| ACCURATE MASS (Da) | 409.2828 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | majuscula |
| InChIKey | CERISUFCIISKED-AIDPZRPGSA-N |
| InChI | InChI=1S/C23H39NO5/c1-5-6-8-11-18(28-3)12-9-7-10-13-21(26)24-16-20(29-4)22-19(25)15-14-17(2)23(22)27/h7,9,14,18-20,22,25H,5-6,8,10-13,15-16H2,1-4H3,(H,24,26)/b9-7+/t18-,19+,20+,22-/m0/s1 |
| SMILES | CCCCC[C@@H](C/C=C/CCC(=O)NC[C@@H](OC)[C@H]1C(=O)C(C)=CC[C@H]1O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | McPhail, Kerry L.; Gerwick, William H. Three new malyngamides from a Papua New Guinea collection of the marine cyanobacterium Lyngbya majuscula Journal of Natural Products 2003 66 (1) 132-135. | ||
|---|---|---|---|
| DOI | 10.1021/np0204186 | PMID | 12542362 |
SYNTHESES
| CITATION 1 | Li Y; Feng JP; Wang WH; Chen J; Cao XP Total synthesis and correct absolute configuration of malyngamide U. Journal of Organic Chemistry 2007 72 (7) 2344-2350. DOI: 10.1021/jo061456n PMID: 17346080 | ||
|---|---|---|---|
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CCCCC[C@@H](C/C=C/CCC(=O)NC[C@H]([C@@H]1[C@H](CC=C(C1=O)C)O)OC)OC | McPhail, Kerry L.; Gerwick, William H. Three new malyngamides from a Papua New Guinea collection of the marine cyanobacterium Lyngbya majuscula Journal of Natural Products 2003 66 (1) 132-135. DOI: 10.1021/np0204186 PMID: 12542362 | ||
| 2 | CCCCC[C@@H](C/C=C/CCC(=O)NC[C@@H](OC)[C@H]1C(=O)C(C)=CC[C@H]1O)OC | Li Y; Feng JP; Wang WH; Chen J; Cao XP Total synthesis and correct absolute configuration of malyngamide U. Journal of Organic Chemistry 2007 72 (7) 2344-2350. DOI: 10.1021/jo061456n PMID: 17346080 | ||
