Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024832
PROPERTIES
| NPAID | NPA024832 |
|---|---|
| CLUSTER ID | 7572 |
| NODE ID | 3582 |
| NAME | Alpha-galactosylceramide |
| FORMULA | C40H79NO9 |
| MOLECULAR WEIGHT (Da) | 718.0700 |
| ACCURATE MASS (Da) | 717.5755 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacteroides |
| ORIGIN SPECIES | fragilis |
| InChIKey | TVSWUEMHNUKUAZ-FQMLERHQSA-N |
| InChI | InChI=1S/C40H79NO9/c1-30(2)23-19-15-11-7-5-9-13-17-21-25-32(43)27-36(45)41-33(29-49-40-39(48)38(47)37(46)35(28-42)50-40)34(44)26-22-18-14-10-6-8-12-16-20-24-31(3)4/h30-35,37-40,42-44,46-48H,5-29H2,1-4H3,(H,41,45)/t32-,33+,34-,35?,37+,38?,39?,40-/m1/s1 |
| SMILES | CC(C)CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@H]1C(C([C@H](C(O1)CO)O)O)O)[C@@H](CCCCCCCCCCCC(C)C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wieland Brown LC; Penaranda C; Kashyap PC; Williams BB; Clardy J; Kronenberg M; Sonnenburg JL; Comstock LE; Bluestone JA; Fischbach MA Production of α-galactosylceramide by a prominent member of the human gut microbiota. PLoS Biology 2013 11 (7) e1001610. | ||
|---|---|---|---|
| DOI | 10.1371/journal.pbio.1001610 | PMID | 23874157 |
