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Compounds

COMPOUND NPA014459

STRUCTURE
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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
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Deinococcus-Thermus LPSN 1297
Class Deinococci LPSN 188787
Order Thermales LPSN 68933
Family Thermaceae LPSN 188786
Genus Thermus LPSN 270
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