Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000007113 | Gold | 3 |
| CCMSLIB00000007051 | Gold | 3 |
| CCMSLIB00000007052 | Gold | 3 |
| CCMSLIB00000007053 | Gold | 3 |
| CCMSLIB00000007054 | Gold | 3 |
| CCMSLIB00000007055 | Gold | 3 |
| CCMSLIB00000007109 | Gold | 3 |
| CCMSLIB00000007110 | Gold | 3 |
| CCMSLIB00000007111 | Gold | 3 |
| CCMSLIB00000007112 | Gold | 3 |
COMPOUND NPA028636
PROPERTIES
| NPAID | NPA028636 |
|---|---|
| CLUSTER ID | 8558 |
| NODE ID | 5793 |
| NAME | Pateamine A |
| FORMULA | C31H45N3O4S |
| MOLECULAR WEIGHT (Da) | 555.7850 |
| ACCURATE MASS (Da) | 555.3131 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Entotheonella |
| ORIGIN SPECIES | custodiens |
| InChIKey | DSPNTLCJTJBXTD-IRNRRZNASA-N |
| InChI | InChI=1S/C31H45N3O4S/c1-21(13-14-34(6)7)11-12-23(3)16-27-19-29-33-28(20-39-29)24(4)17-26(32)18-31(36)37-25(5)15-22(2)9-8-10-30(35)38-27/h8-13,16,20,24-27H,14-15,17-19,32H2,1-7H3/b10-8-,12-11+,21-13+,22-9+,23-16+/t24-,25-,26+,27+/m0/s1 |
| SMILES | CC(/C=C/C(C)=C/[C@@H]1CC2=NC(=CS2)[C@@H](C)C[C@@H](N)CC(=O)O[C@@H](C)C/C(C)=C/C=C\C(=O)O1)=C\CN(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Rust M; Helfrich EJN; Freeman MF; Nanudorn P; Field CM; Rückert C; Kündig T; Page MJ; Webb VL; Kalinowski J; Sunagawa S; Piel J A multiproducer microbiome generates chemical diversity in the marine sponge Mycale hentscheli. Proceedings of the National Academy of Sciences of the United States of America 2020 117 (17) 9508-9518. | ||
|---|---|---|---|
| DOI | 10.1073/pnas.1919245117 | PMID | 32291345 |
