Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023853
PROPERTIES
| NPAID | NPA023853 |
|---|---|
| CLUSTER ID | 6031 |
| NODE ID | 4224 |
| NAME | Columbamide D |
| FORMULA | C23H43Cl2NO3 |
| MOLECULAR WEIGHT (Da) | 452.5070 |
| ACCURATE MASS (Da) | 451.2620 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Moorea |
| ORIGIN SPECIES | bouillonii |
| InChIKey | IVCAHXJIJIGCFU-FGZHOGPDSA-N |
| InChI | InChI=1S/C23H43Cl2NO3/c1-26(22(19-27)20-29-2)23(28)17-13-9-4-3-7-11-15-21(25)16-12-8-5-6-10-14-18-24/h4,9,21-22,27H,3,5-8,10-20H2,1-2H3/t21-,22-/m1/s1 |
| SMILES | COC[C@@H](CO)N(C)C(=O)CCC=CCCCC[C@@H](Cl)CCCCCCCCCl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lopez, Julius Adam V.; Petitbois, Julie G.; Vairappan, Charles S.; Umezawa, Taiki; Matsuda, Fuyuhiko; Okino, Tatsufumi Columbamides D and E: Chlorinated Fatty Acid Amides from the Marine Cyanobacterium Moorea bouillonii Collected in Malaysia Organic Letters 2017 19 (16) 4231-4234. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.7b01869 | PMID | 28783344 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CN([C@H](CO)COC)C(=O)CCC=CCCCC[C@@H](CCCCCCCCCl)Cl | Lopez, Julius Adam V.; Petitbois, Julie G.; Vairappan, Charles S.; Umezawa, Taiki; Matsuda, Fuyuhiko; Okino, Tatsufumi Columbamides D and E: Chlorinated Fatty Acid Amides from the Marine Cyanobacterium Moorea bouillonii Collected in Malaysia Organic Letters 2017 19 (16) 4231-4234. DOI: 10.1021/acs.orglett.7b01869 PMID: 28783344 | ||
| 2 | COC[C@@H](CO)N(C)C(=O)CCC=CCCCC[C@@H](Cl)CCCCCCCCCl | Lopez, Julius Adam V.; Petitbois, Julie G.; Vairappan, Charles S.; Umezawa, Taiki; Matsuda, Fuyuhiko; Okino, Tatsufumi Columbamides D and E: Chlorinated Fatty Acid Amides from the Marine Cyanobacterium Moorea bouillonii Collected in Malaysia Organic Letters 2017 19 (16) 4231-4234. DOI: 10.1021/acs.orglett.7b01869 PMID: 28783344 | ||
