Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014459
PROPERTIES
| NPAID | NPA014459 |
|---|---|
| CLUSTER ID | 1825 |
| NODE ID | 24 |
| NAME | Thermobiszeaxanthin Z2-13-13 |
| FORMULA | C79H126O13 |
| MOLECULAR WEIGHT (Da) | 1283.8640 |
| ACCURATE MASS (Da) | 1282.9198 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Thermus |
| ORIGIN SPECIES | thermophilus |
| InChIKey | XKGARDDRAURUEV-RUTLOKHXSA-N |
| InChI | InChI=1S/C79H126O13/c1-54(2)33-25-21-17-15-19-23-27-41-69(80)88-52-62-49-67(72(83)74(85)71(62)82)90-63-47-60(9)65(78(11,12)50-63)45-43-58(7)39-31-37-56(5)35-29-30-36-57(6)38-32-40-59(8)44-46-66-61(10)48-64(51-79(66,13)14)91-77-76(87)75(86)73(84)68(92-77)53-89-70(81)42-28-24-20-16-18-22-26-34-55(3)4/h29-32,35-40,43-46,54-55,62-64,67-68,71-77,82-87H,15-28,33-34,41-42,47-53H2,1-14H3/b30-29+,37-31+,38-32+,45-43+,46-44+,56-35+,57-36+,58-39+,59-40+/t62?,63-,64-,67?,68?,71?,72?,73?,74?,75?,76?,77?/m1/s1 |
| SMILES | CC1=C(C(C[C@@H](C1)OC2CC(C(C(C2O)O)O)COC(=O)CCCCCCCCCC(C)C)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C3=C(C[C@H](CC3(C)C)OC4C(C(C(C(O4)COC(=O)CCCCCCCCCC(C)C)O)O)O)C)/C)/C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yokoyama, A; Shizuri, Y; Hoshino, T; Sandmann, G Thermocryptoxanthins: novel intermediates in the carotenoid biosynthetic pathway of Thermus thermophilus Archives of Microbiology 1996 165 (5) 342-345. | ||
|---|---|---|---|
| DOI | 10.1007/s002030050336 | PMID | 8661926 |
