Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002731
PROPERTIES
| NPAID | NPA002731 |
|---|---|
| CLUSTER ID | 36 |
| NODE ID | 35 |
| NAME | Glycolipid G3 |
| FORMULA | C60H114O15 |
| MOLECULAR WEIGHT (Da) | 1075.5570 |
| ACCURATE MASS (Da) | 1074.8158 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Propionibacterium |
| ORIGIN SPECIES | propionicum PCM 2431 |
| InChIKey | HALHDMQECQAMSZ-LKJLMDQKSA-N |
| InChI | InChI=1S/C60H114O15/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-69-45-48(72-52(63)42-39-36-33-30-27-24-21-18-15-12-9-6-3)46-71-59-57(68)58(54(65)49(44-61)73-59)75-60-56(67)55(66)53(64)50(74-60)47-70-51(62)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48-50,53-61,64-68H,4-47H2,1-3H3/t48?,49-,50-,53-,54-,55+,56-,57-,58?,59+,60-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCOCC(CO[C@@H]1[C@@H](C([C@@H]([C@H](O1)CO)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)CCCCCCCCCCCCCC)O)O)O)O)OC(=O)CCCCCCCCCCCCCC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Paściak, Mariola; Holst, Otto; Lindner, Buko; Mordarska, Halina; Gamian, Andrzej Novel Bacterial Polar Lipids Containing Ether-linked Alkyl Chains, the Structures and Biological Properties of the Four Major Glycolipids from Propionibacterium propionicum PCM 2431 (ATCC 14157T) Journal of Biological Chemistry 2003 278 (6) 3948-3956. | ||
|---|---|---|---|
| DOI | 10.1074/jbc.m206013200 | PMID | 12427753 |
