Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577585 | Gold | 3 |
COMPOUND NPA004546
PROPERTIES
| NPAID | NPA004546 |
|---|---|
| CLUSTER ID | 2350 |
| NODE ID | 1854 |
| NAME | Carriebowmide |
| FORMULA | C46H68N6O9S |
| MOLECULAR WEIGHT (Da) | 881.1500 |
| ACCURATE MASS (Da) | 880.4768 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | polychroa |
| InChIKey | BWWQJPMOEXIEGF-LZFJHTOQSA-N |
| InChI | InChI=1S/C46H68N6O9S/c1-11-18-34-30(6)46(59)61-39(29(4)5)45(58)52(9)38(27-33-21-16-13-17-22-33)43(56)49-35(23-24-62(10)60)41(54)50-36(26-32-19-14-12-15-20-32)44(57)51(8)37(25-28(2)3)42(55)47-31(7)40(53)48-34/h12-17,19-22,28-31,34-39H,11,18,23-27H2,1-10H3,(H,47,55)(H,48,53)(H,49,56)(H,50,54)/t30-,31-,34+,35-,36-,37-,38+,39+,62?/m0/s1 |
| SMILES | CCC[C@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCS(C)=O)NC(=O)[C@@H](CC2=CC=CC=C2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gunasekera, Sarath P.; Ritson-Williams, Raphael; Paul, Valerie J. Carriebowmide, a new cyclodepsipeptide from the marine cyanobacterium Lyngbya polychroa Journal of Natural Products 2008 71 (12) 2060-2063. | ||
|---|---|---|---|
| DOI | 10.1021/np800453t | PMID | 19007282 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CCC[C@@H]1[C@H](C(=O)O[C@@H](C(=O)N([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N1)C)CC(C)C)C)CC2=CC=CC=C2)CCS(=O)C)CC3=CC=CC=C3)C)C(C)C)C | Gunasekera, Sarath P.; Ritson-Williams, Raphael; Paul, Valerie J. Carriebowmide, a new cyclodepsipeptide from the marine cyanobacterium Lyngbya polychroa Journal of Natural Products 2008 71 (12) 2060-2063. DOI: 10.1021/np800453t PMID: 19007282 | ||
| 2 | CCC[C@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCS(C)=O)NC(=O)[C@@H](CC2=CC=CC=C2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H]1C | Jimenez, Jorge I.; Vansach, Tifanie; Yoshida, Wesley Y.; Sakamoto, Bryan; Poerzgen, Peter; Horgen, F. David Halogenated fatty acid amides and cyclic depsipeptides from an eastern Caribbean collection of the cyanobacterium Lyngbya majuscula Journal of Natural Products 2009 72 (9) 1573-1578. DOI: 10.1021/np900173d PMID: 19739598 | ||
