Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005075
PROPERTIES
| NPAID | NPA005075 |
|---|---|
| CLUSTER ID | 58 |
| NODE ID | 54 |
| NAME | 4,5-dihydro-7-O-descarbamoyl-7-hydroxygeldanamycin |
| FORMULA | C28H41NO8 |
| MOLECULAR WEIGHT (Da) | 519.6350 |
| ACCURATE MASS (Da) | 519.2832 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. |
| InChIKey | STJZXLRSQNVEGC-XWNKJCCHSA-N |
| InChI | InChI=1S/C28H41NO8/c1-15-11-19-26(33)20(14-21(30)27(19)37-7)29-28(34)16(2)9-8-10-22(35-5)24(31)17(3)13-18(4)25(32)23(12-15)36-6/h9,13-15,18,22-25,31-32H,8,10-12H2,1-7H3,(H,29,34)/b16-9+,17-13+/t15-,18+,22+,23+,24+,25-/m1/s1 |
| SMILES | C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](CC/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)\C)OC)O)\C)C)O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hong, Young-Soo; Lee, Dongho; Kim, Woncheol; Jeong, Jae-Kap; Kim, Chun-Gyu; Sohng, Jae Kyung; Lee, Jeong-Hyung; Paik, Sang-Gi; Lee, Jung Joon Inactivation of the carbamoyltransferase gene refines post-polyketide synthase modification steps in the biosynthesis of the antitumor agent geldanamycin Journal of the American Chemical Society 2004 126 (36) 11142-11143. | ||
|---|---|---|---|
| DOI | 10.1021/ja047769m | PMID | 15355082 |
