Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013122
PROPERTIES
| NPAID | NPA013122 |
|---|---|
| CLUSTER ID | 545 |
| NODE ID | 487 |
| NAME | PGL KIV |
| FORMULA | C63H106O24 |
| MOLECULAR WEIGHT (Da) | 1247.5170 |
| ACCURATE MASS (Da) | 1246.7074 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Mycobacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | OAFPSPUPWUBNPY-RQKVYHMDSA-N |
| InChI | InChI=1S/C63H106O24/c1-17-22-34(5)58(69)81-42(25-21-20-24-33(4)44(19-3)71-11)31-43(82-59(70)35(6)23-18-2)30-40-26-28-41(29-27-40)83-61-56(75-15)53(49(72-12)37(8)78-61)86-62-55(74-14)51(46(66)36(7)77-62)85-63-57(76-16)54(50(38(9)79-63)80-39(10)65)87-60-52(73-13)48(68)47(67)45(32-64)84-60/h26-29,33-38,42-57,60-64,66-68H,17-25,30-32H2,1-16H3/t33?,34?,35?,36?,37?,38?,42?,43?,44?,45?,46-,47-,48?,49-,50+,51?,52?,53?,54?,55?,56?,57?,60+,61-,62-,63-/m1/s1 |
| SMILES | CCCC(C)C(=O)OC(CCCCC(C)C(CC)OC)CC(CC1=CC=C(C=C1)O[C@@H]2C(C([C@@H](C(O2)C)OC)O[C@@H]3C(C([C@@H](C(O3)C)O)O[C@@H]4C(C([C@H](C(O4)C)OC(=O)C)O[C@H]5C(C([C@@H](C(O5)CO)O)O)OC)OC)OC)OC)OC(=O)C(C)CCC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fournié, J j; Rivière, M; Puzo, G Structural elucidation of the major phenolic glycolipid from Mycobacterium kansasii. I. Evidence for tetrasaccharide structure of the oligosaccharide moiety Journal of Biological Chemistry 1987 262 (7) 3174-3179. | ||
|---|---|---|---|
| DOI | 10.5281/zenodo.3541228 | PMID | 3818637 |
