Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005158
PROPERTIES
| NPAID | NPA005158 |
|---|---|
| CLUSTER ID | 2582 |
| NODE ID | 2023 |
| NAME | GE-3B |
| FORMULA | C49H82N8O15 |
| MOLECULAR WEIGHT (Da) | 1023.2360 |
| ACCURATE MASS (Da) | 1022.5900 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | JZHHEDXKUYAXEI-XEOSYUJQSA-N |
| InChI | InChI=1S/C49H82N8O15/c1-14-27(6)39(60)29(8)24-30(9)40-28(7)19-20-49(70,72-40)48(12,69)47(68)53-37(38(59)26(4)5)45(65)56-34(18-16-22-51-56)44(64)57(71)31(10)42(62)54(13)35(23-25(2)3)43(63)55-33(17-15-21-50-55)41(61)52-36(32(11)58)46(66)67/h14,24-26,28-29,31-38,40,50-51,58-59,69-71H,15-23H2,1-13H3,(H,52,61)(H,53,68)(H,66,67)/b27-14+,30-24+/t28-,29-,31-,32-,33-,34+,35+,36+,37-,38-,40-,48?,49+/m0/s1 |
| SMILES | C/C=C(\C)/C(=O)[C@@H](C)/C=C(\C)/[C@@H]1[C@H](CC[C@@](O1)(C(C)(C(=O)N[C@@H]([C@H](C(C)C)O)C(=O)N2[C@H](CCCN2)C(=O)N([C@@H](C)C(=O)N(C)[C@H](CC(C)C)C(=O)N3[C@@H](CCCN3)C(=O)N[C@H]([C@H](C)O)C(=O)O)O)O)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | SAKAI, YASUSHI; YOSHIDA, TETSUO; TSUJITA, TETSUYA; OCHIAI, KEIKO; AGATSUMA, TSUTOMU; SAITOH, YUTAKA; TANAKA, FUTOSHI; AKIYAMA, TADAKAZU; AKiNAGA, SHIRO; MIZUKAMI, TAMIO GE3, a Novel Hexadepsipeptide Antitumor Antibiotic, Produced by Streptomyces sp.I. Taxonomy, Production, Isolation, Physico-chemical Properties, and Biological Activities Journal of Antibiotics 1997 50 (8) 659-664. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.50.659 | PMID | 9315078 |
