Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000839203 | Bronze | Dereplicator&Identification&-&E'Surugamide_D' |
| CCMSLIB00005716834 | Gold | 3 |
COMPOUND NPA004501
PROPERTIES
| NPAID | NPA004501 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Surugamide D |
| FORMULA | C47H79N9O8 |
| MOLECULAR WEIGHT (Da) | 898.2040 |
| ACCURATE MASS (Da) | 897.6052 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | POJKUXRIPCIWMZ-SGOJMVJPSA-N |
| InChI | InChI=1S/C47H79N9O8/c1-12-28(8)37-45(62)49-31(11)40(57)53-36(27(6)7)44(61)56-39(30(10)14-3)46(63)50-33(22-18-19-23-48)41(58)54-38(29(9)13-2)47(64)52-35(25-32-20-16-15-17-21-32)42(59)51-34(24-26(4)5)43(60)55-37/h15-17,20-21,26-31,33-39H,12-14,18-19,22-25,48H2,1-11H3,(H,49,62)(H,50,63)(H,51,59)(H,52,64)(H,53,57)(H,54,58)(H,55,60)(H,56,61)/t28-,29-,30+,31+,33-,34+,35+,36-,37-,38-,39+/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)CCCCN)[C@H](C)CC)C(C)C)C)[C@@H](C)CC)CC(C)C)CC2=CC=CC=C2 |
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 |
