Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023757
PROPERTIES
| NPAID | NPA023757 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Sinulariapeptide A |
| FORMULA | C45H69N7O11 |
| MOLECULAR WEIGHT (Da) | 884.0850 |
| ACCURATE MASS (Da) | 883.5055 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Simplicillium |
| ORIGIN SPECIES | sp. SCSIO41209 |
| InChIKey | WDEFDBDUAAZKEM-YDYDBITASA-N |
| InChI | InChI=1S/C45H69N7O11/c1-6-7-8-9-10-11-12-15-32-16-13-18-37(56)50-39(29(5)53)43(60)47-28(4)44(61)52-25-14-17-35(52)42(59)48-33(23-24-36(46)55)40(57)49-34(26-30-19-21-31(54)22-20-30)41(58)51-38(27(2)3)45(62)63-32/h10-11,19-22,27-29,32-35,38-39,53-54H,6-9,12-18,23-26H2,1-5H3,(H2,46,55)(H,47,60)(H,48,59)(H,49,57)(H,50,56)(H,51,58)/b11-10+/t28-,29-,32+,33+,34-,35+,38+,39-/m1/s1 |
| SMILES | CCCCC/C=C/CC[C@H]1CCCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)C(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)C)[C@@H](C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Dai, Yu; Lin, Yun; Pang, Xiaoyan; Luo, Xiaowei; salendra, Limbadri; Wang, Junfeng; Zhou, Xuefeng; Lu, Yongjun; Yang, Bin; Liu, Yonghong Peptides from the Soft Coral-associated Fungus Simplicillium sp. SCSIO41209 Phytochemistry 2018 154 56-62. | ||
|---|---|---|---|
| DOI | 10.1016/j.phytochem.2018.06.014 | PMID | 30006088 |
