Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA030803
PROPERTIES
| NPAID | NPA030803 |
|---|---|
| CLUSTER ID | 499 |
| NODE ID | 448 |
| NAME | S. salinus M19-40T lipid A |
| FORMULA | C72H134N2O24P2 |
| MOLECULAR WEIGHT (Da) | 1473.8020 |
| ACCURATE MASS (Da) | 1472.8802 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Spiribacter |
| ORIGIN SPECIES | salinus M19-40T |
| InChIKey | CRTAASQPJWXHDU-SZPGBGPLSA-N |
| InChI | InChI=1S/C72H134N2O24P2/c1-6-11-16-21-24-27-30-35-40-43-54(76)48-60(79)73-66-70(96-64(83)50-56(78)45-39-34-20-15-10-5)68(97-99(85,86)87)58(52-75)93-71(66)91-53-59-67(84)69(95-63(82)49-55(77)44-38-33-19-14-9-4)65(72(94-59)98-100(88,89)90)74-61(80)51-57(46-41-36-31-28-25-22-17-12-7-2)92-62(81)47-42-37-32-29-26-23-18-13-8-3/h55-59,65-72,75,77-78,84H,6-53H2,1-5H3,(H,73,79)(H,74,80)(H2,85,86,87)(H2,88,89,90)/t55-,56-,57-,58-,59-,65-,66-,67-,68-,69-,70-,71-,72-/m1/s1 |
| SMILES | CCCCCCCCCCCC(=O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCC)[C@@H]2O)O[C@H](CO)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@H](O)CCCCCCC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Barrau, C; Di Lorenzo, F; Menes, RJ; Lanzetta, R; Molinaro, A; Silipo, A The Structure of the Lipid A from the Halophilic Bacterium Spiribacter salinus M19-40T Marine Drugs 2018 16 (4) 124. | ||
|---|---|---|---|
| DOI | 10.3390/md16040124 | PMID | 29641496 |
