Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005724026 | Gold | 3 |
COMPOUND NPA020316
PROPERTIES
| NPAID | NPA020316 |
|---|---|
| CLUSTER ID | 2059 |
| NODE ID | 1648 |
| NAME | CDA2a |
| FORMULA | C66H77N14O29P |
| MOLECULAR WEIGHT (Da) | 1561.3850 |
| ACCURATE MASS (Da) | 1560.4718 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | coelicolor A3(2) |
| InChIKey | HDBCLPTUKVHJRE-NHTRHERRSA-N |
| InChI | InChI=1S/C66H77N14O29P/c1-3-8-44-53(108-44)65(102)77-43(27-81)61(98)79-50-28(2)107-66(103)42(20-31-25-69-36-12-7-5-10-34(31)36)76-57(94)37(17-18-46(84)85)71-64(101)52(54(55(67)92)109-110(104,105)106)78-45(83)26-70-56(93)39(21-47(86)87)75-63(100)51(29-13-15-32(82)16-14-29)80-60(97)41(23-49(90)91)73-59(96)40(22-48(88)89)72-58(95)38(74-62(50)99)19-30-24-68-35-11-6-4-9-33(30)35/h4-7,9-16,20,24-25,28,37-41,43-44,50-54,68-69,81-82H,3,8,17-19,21-23,26-27H2,1-2H3,(H2,67,92)(H,70,93)(H,71,101)(H,72,95)(H,73,96)(H,74,99)(H,75,100)(H,76,94)(H,77,102)(H,78,83)(H,79,98)(H,80,97)(H,84,85)(H,86,87)(H,88,89)(H,90,91)(H2,104,105,106)/b42-20-/t28-,37+,38-,39+,40+,41+,43+,44?,50+,51-,52-,53?,54+/m1/s1 |
| SMILES | CCCC1C(O1)C(=O)N[C@@H](CO)C(=O)N[C@H]2[C@H](OC(=O)/C(=C/C3=CNC4=CC=CC=C43)/NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC2=O)CC5=CNC6=CC=CC=C65)CC(=O)O)CC(=O)O)C7=CC=C(C=C7)O)CC(=O)O)[C@@H](C(=O)N)OP(=O)(O)O)CCC(=O)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hojati Z, Milne C, Harvey B, Gordon L, Borg M, Flett F, Wilkinson B, Sidebottom PJ, Rudd BA, Hayes MA, Smith CP, Micklefield J Structure, Biosynthetic Origin, and Engineered Biosynthesis of Calcium-Dependent Antibiotics from Streptomyces coelicolor Chemistry & Biology 2002 9 (11) 1175-1187. | ||
|---|---|---|---|
| DOI | 10.1016/S1074-5521(02)00252-1 | PMID | 12445768 |
