Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005484
PROPERTIES
| NPAID | NPA005484 |
|---|---|
| CLUSTER ID | 1368 |
| NODE ID | 1150 |
| NAME | Saptomycin B |
| FORMULA | C41H52N2O9 |
| MOLECULAR WEIGHT (Da) | 716.8720 |
| ACCURATE MASS (Da) | 716.3673 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. HP530 Parent |
| InChIKey | VWFVFHNESZVLJB-FUPAGGGESA-N |
| InChI | InChI=1S/C41H52N2O9/c1-11-12-13-19(2)28-17-27(44)31-20(3)14-25-33(39(31)52-28)38(48)34-32(37(25)47)23(29-16-26(42(7)8)35(45)21(4)50-29)15-24(36(34)46)30-18-41(6,43(9)10)40(49)22(5)51-30/h11-12,14-15,17,19,21-22,26,29-30,35,40,45-46,49H,13,16,18H2,1-10H3/b12-11-/t19-,21-,22-,26-,29+,30-,35+,40+,41-/m1/s1 |
| SMILES | C/C=C\C[C@@H](C)C1=CC(=O)C2=C(O1)C1=C(C=C2C)C(=O)C2=C(C1=O)C(O)=C([C@H]1C[C@@](C)(N(C)C)[C@@H](O)[C@@H](C)O1)C=C2[C@@H]1C[C@@H](N(C)C)[C@@H](O)[C@@H](C)O1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Abe, N; Nakakita, Y; Nakamura, T; Enoki, N; Uchida, H; Munekata, M Novel antitumor antibiotics, saptomycins. I. Taxonomy of the producing organism, fermentation, HPLC analysis and biological activities. Journal of Antibiotics 1993 46 (10) 1530-1535. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.46.1530 | PMID | 8244880 |
SYNTHESES
| CITATION 1 | Kitamura K; Maezawa Y; Ando Y; Kusumi T; Matsumoto T; Suzuki K Synthesis of the pluramycins 2: total synthesis and structure assignment of saptomycin B. Angewandte Chemie International Edition 2014 53 (5) 1262-5. DOI: 10.1002/anie.201308017 PMID: 24356940 | ||
|---|---|---|---|
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CC=CCC(C)C1=CC(=O)C2=C(C=C3C(=C2O1)C(=O)C4=C(C3=O)C(=CC(=C4O)C5CC(C(C(O5)C)O)(C)N(C)C)C6CC(C(C(O6)C)O)N(C)C)C | Abe, N; Nakakita, Y; Nakamura, T; Enoki, N; Uchida, H; Munekata, M Novel antitumor antibiotics, saptomycins. I. Taxonomy of the producing organism, fermentation, HPLC analysis and biological activities. Journal of Antibiotics 1993 46 (10) 1530-1535. DOI: 10.7164/antibiotics.46.1530 PMID: 8244880 | ||
| 2 | C/C=C\C[C@@H](C)C1=CC(=O)C2=C(O1)C1=C(C=C2C)C(=O)C2=C(C1=O)C(O)=C([C@H]1C[C@@](C)(N(C)C)[C@@H](O)[C@@H](C)O1)C=C2[C@@H]1C[C@@H](N(C)C)[C@@H](O)[C@@H](C)O1 | Kitamura K; Maezawa Y; Ando Y; Kusumi T; Matsumoto T; Suzuki K Synthesis of the pluramycins 2: total synthesis and structure assignment of saptomycin B. Angewandte Chemie International Edition 2014 53 (5) 1262-5. DOI: 10.1002/anie.201308017 PMID: 24356940 | ||
