Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001584
PROPERTIES
| NPAID | NPA001584 |
|---|---|
| CLUSTER ID | 499 |
| NODE ID | 448 |
| NAME | Lipid A |
| FORMULA | C64H119N2O21P |
| MOLECULAR WEIGHT (Da) | 1283.6230 |
| ACCURATE MASS (Da) | 1282.8043 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Marinomonas |
| ORIGIN SPECIES | communis |
| InChIKey | MNZSQEOUUWNMGH-MWLBTNMNSA-N |
| InChI | InChI=1S/C64H119N2O21P/c1-6-11-16-21-22-23-24-29-34-39-54(72)82-48(37-32-27-19-14-9-4)42-53(71)66-58-62(86-56(74)41-47(69)36-31-26-18-13-8-3)60(76)51(85-64(58)87-88(78,79)80)45-81-63-57(61(77)59(75)50(44-67)84-63)65-52(70)43-49(38-33-28-20-15-10-5)83-55(73)40-46(68)35-30-25-17-12-7-2/h46-51,57-64,67-69,75-77H,6-45H2,1-5H3,(H,65,70)(H,66,71)(H2,78,79,80)/t46-,47-,48-,49-,50-,51-,57-,58-,59-,60-,61-,62-,63?,64-/m1/s1 |
| SMILES | CCCCCCCCCCCC(=O)O[C@H](CCCCCCC)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)COC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C[C@@H](CCCCCCC)OC(=O)C[C@@H](CCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Vorob’eva, E. V.; Dmitrenok, A. S.; Dmitrenok, P. S.; Isakov, V. V.; Krasikova, I. N.; Solov’eva, T. F. The Structure of Uncommon Lipid A from the Marine Bacterium Marinomonas communis ATCC 27118T Russian Journal of Bioorganic Chemistry 2005 31 (4) 362-371. | ||
|---|---|---|---|
| DOI | 10.1007/s11171-005-0050-4 | PMID | - |
