Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA005755
PROPERTIES
NPAID | NPA005755 |
---|---|
CLUSTER ID | 36 |
NODE ID | 35 |
NAME | Glycolipid G2 |
FORMULA | C45H86O14 |
MOLECULAR WEIGHT (Da) | 851.1690 |
ACCURATE MASS (Da) | 850.6018 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Propionibacterium |
ORIGIN SPECIES | propionicum PCM 2431 |
InChIKey | YKQIZMFHBJKOKA-CAQVYKBTSA-N |
InChI | InChI=1S/C45H86O14/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-54-32-34(56-37(48)28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-55-44-42(53)43(39(50)36(31-47)57-44)59-45-41(52)40(51)38(49)35(30-46)58-45/h34-36,38-47,49-53H,3-33H2,1-2H3/t34?,35-,36-,38-,39-,40+,41-,42-,43?,44+,45-/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)CO)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. | ||
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DOI | 10.1074/jbc.m206013200 | PMID | 12427753 |