Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007988
PROPERTIES
| NPAID | NPA007988 |
|---|---|
| CLUSTER ID | 499 |
| NODE ID | 448 |
| NAME | Porphyromonas gingivalis lipid A |
| FORMULA | C78H149N2O19P |
| MOLECULAR WEIGHT (Da) | 1450.0190 |
| ACCURATE MASS (Da) | 1449.0492 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Porphyromonas |
| ORIGIN SPECIES | gingivalis |
| InChIKey | PLELIMGHEDFXFZ-YMYLJYMDSA-N |
| InChI | InChI=1S/C78H149N2O19P/c1-7-9-11-13-15-17-19-20-22-30-36-42-48-54-69(86)95-64(53-47-41-35-29-24-26-32-38-44-50-61(5)6)57-68(85)79-71-75(90)73(88)65(58-81)96-77(71)94-59-66-74(89)76(98-70(87)56-63(83)52-46-40-34-27-21-18-16-14-12-10-8-2)72(78(97-66)99-100(91,92)93)80-67(84)55-62(82)51-45-39-33-28-23-25-31-37-43-49-60(3)4/h60-66,71-78,81-83,88-90H,7-59H2,1-6H3,(H,79,85)(H,80,84)(H2,91,92,93)/t62?,63?,64?,65?,66?,71?,72?,73-,74-,75?,76?,77-,78-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCC(C)C)CC(=O)NC1[C@@H](OC([C@H](C1O)O)CO)OCC2[C@H](C(C([C@H](O2)OP(=O)(O)O)NC(=O)CC(CCCCCCCCCCCC(C)C)O)OC(=O)CC(CCCCCCCCCCCCC)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kumada, H; Haishima, Y; Umemoto, T; Tanamoto, K Structural study on the free lipid A isolated from lipopolysaccharide of Porphyromonas gingivalis Journal of Bacteriology 1995 177 (8) 2098-2106. | ||
|---|---|---|---|
| DOI | 10.1128/jb.177.8.2098-2106.1995 | PMID | 7721702 |
