Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000579271 | Gold | Surugamide&A |
| CCMSLIB00000839206 | Bronze | Dereplicator&Identification&-&E'Surugamide_A' |
| CCMSLIB00012161430 | Gold | 4 |
| CCMSLIB00012161426 | Gold | 4 |
| CCMSLIB00010001227 | Gold | 4 |
| CCMSLIB00010001223 | Gold | 4 |
COMPOUND NPA005450
PROPERTIES
| NPAID | NPA005450 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 26 |
| NAME | Surugamide A |
| FORMULA | C48H81N9O8 |
| MOLECULAR WEIGHT (Da) | 912.2310 |
| ACCURATE MASS (Da) | 911.6208 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | NPYICXUUGUJPMM-QIUOYRCFSA-N |
| InChI | InChI=1S/C48H81N9O8/c1-12-28(7)37-45(62)50-32(11)41(58)54-40(31(10)15-4)48(65)57-39(30(9)14-3)46(63)51-34(23-19-20-24-49)42(59)55-38(29(8)13-2)47(64)53-36(26-33-21-17-16-18-22-33)43(60)52-35(25-27(5)6)44(61)56-37/h16-18,21-22,27-32,34-40H,12-15,19-20,23-26,49H2,1-11H3,(H,50,62)(H,51,63)(H,52,60)(H,53,64)(H,54,58)(H,55,59)(H,56,61)(H,57,65)/t28-,29-,30-,31-,32+,34-,35+,36+,37-,38-,39+,40-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=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)N[C@H](C(=O)N[C@@H](C(=O)N1)C)[C@@H](C)CC)CC(C)C)CC2=CC=CC=C2)[C@@H](C)CC)CCCCN)[C@@H](C)CC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Takada, Kentaro; Ninomiya, Akihiro; Naruse, Masato; Sun, Yi; Miyazaki, Masayuki; Nogi, Yuichi; Okada, Shigeru; Matsunaga, Shigeki Surugamides A-E, cyclic octapeptides with four D-amino acid residues, from a marine streptomyces sp.: LC-MS-aided inspection of partial hydrolysates for the distinction of D- and L-amino acid residues in the sequence Journal of Organic Chemistry 2013 78 (13) 6746-6750. | ||
|---|---|---|---|
| DOI | 10.1021/jo400708u | PMID | 23745669 |
