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Compounds

COMPOUND NPA027390

STRUCTURE
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PROPERTIES
NPAID NPA027390
CLUSTER ID 8263
NODE ID 4987
NAME 6-O-tetraacetyl(A,B,C,E)-α-cyclodextrin
FORMULA C44H68O34
MOLECULAR WEIGHT (Da) 1140.9940
ACCURATE MASS (Da) 1140.3592
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Anabaena
ORIGIN SPECIES sp. XSPORK2A
InChIKey LTWPNGUXWAVWAG-PPLKITMRSA-N
InChI InChI=1S/C44H68O34/c1-11(47)63-7-17-35-23(53)29(59)41(69-17)73-33-15(5-45)68-40(28(58)22(33)52)76-36-18(8-64-12(2)48)71-43(31(61)25(36)55)78-38-20(10-66-14(4)50)72-44(32(62)26(38)56)77-37-19(9-65-13(3)49)70-42(30(60)24(37)54)74-34-16(6-46)67-39(75-35)27(57)21(34)51/h15-46,51-62H,5-10H2,1-4H3/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39?,40?,41?,42?,43?,44?/m1/s1
SMILES CC(=O)OC[C@H]1OC2O[C@@H]3[C@@H](CO)OC(O[C@@H]4[C@@H](COC(C)=O)OC(O[C@@H]5[C@@H](COC(C)=O)OC(O[C@@H]6[C@@H](COC(C)=O)OC(O[C@@H]7[C@@H](CO)OC(O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
ORIGINAL ISOLATION REFERENCE
CITATION Shishido TK; Jokela J; Kolehmainen CT; Fewer DP; Wahlsten M; Wang H; Rouhiainen L; Rizzi E; De Bellis G; Permi P; Sivonen K Antifungal activity improved by coproduction of cyclodextrins and anabaenolysins in Cyanobacteria. Proceedings of the National Academy of Sciences of the United States of America 2015 112 (44) 13669-13674.
DOI 10.1073/pnas.1510432112 PMID 26474830
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Cyanobacteria LPSN 1117
Class Cyanophyceae LPSN -
Order Nostocales LPSN 1161
Family Aphanizomenonaceae LPSN 1892259
Genus Anabaena LPSN 1163
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