Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000749
PROPERTIES
| NPAID | NPA000749 |
|---|---|
| CLUSTER ID | 499 |
| NODE ID | 448 |
| NAME | Rs-DPLA |
| FORMULA | C74H136N2O24P2 |
| MOLECULAR WEIGHT (Da) | 1499.8400 |
| ACCURATE MASS (Da) | 1498.8958 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Rhodobacter |
| ORIGIN SPECIES | sphaeroides |
| InChIKey | YZTDLNWTOMVTAF-UYRWMZTDSA-N |
| InChI | InChI=1S/C74H136N2O24P2/c1-6-11-16-21-24-27-28-31-34-39-44-49-64(83)94-59(48-43-38-33-30-26-23-18-13-8-3)53-63(82)76-68-72(98-66(85)52-58(80)47-41-36-20-15-10-5)70(99-101(87,88)89)60(54-77)95-73(68)93-55-61-69(86)71(97-65(84)51-57(79)46-40-35-19-14-9-4)67(74(96-61)100-102(90,91)92)75-62(81)50-56(78)45-42-37-32-29-25-22-17-12-7-2/h27-28,57-61,67-74,77,79-80,86H,6-26,29-55H2,1-5H3,(H,75,81)(H,76,82)(H2,87,88,89)(H2,90,91,92)/b28-27+/t57-,58-,59-,60?,61?,67?,68?,69?,70?,71?,72?,73?,74?/m1/s1 |
| SMILES | CCCCCCCCCCC[C@H](CC(=O)NC1C(C(C(OC1OCC2C(C(C(C(O2)OP(=O)(O)O)NC(=O)CC(=O)CCCCCCCCCCC)OC(=O)C[C@@H](CCCCCCC)O)O)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCC)O)OC(=O)CCCCC/C=C/CCCCCC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Qureshi, N; Takayama, K; Kurt, R Diphosphoryl lipid A obtained from the nontoxic lipopolysaccharide of Rhodopseudomonas sphaeroides is an endotoxin antagonist in mice Infection and Immunity 1991 59 (1) 441 444. | ||
|---|---|---|---|
| DOI | 10.5281/zenodo.3541300 | PMID | 1987057 |
