Compounds
COMPOUND NPA024688
PROPERTIES
NPAID | NPA024688 |
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CLUSTER ID | 3786 |
NODE ID | 2842 |
NAME | Tunicamycin A |
FORMULA | C38H62N4O16 |
MOLECULAR WEIGHT (Da) | 830.9260 |
ACCURATE MASS (Da) | 830.4161 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | lysosuperficus |
InChIKey | MEYZYGMYMLNUHJ-HFMVIZMTSA-N |
InChI | InChI=1S/C38H62N4O16/c1-19(2)13-11-9-7-5-4-6-8-10-12-14-24(46)40-27-31(51)28(48)22(55-37(27)58-36-26(39-20(3)44)30(50)29(49)23(18-43)56-36)17-21(45)34-32(52)33(53)35(57-34)42-16-15-25(47)41-38(42)54/h12,14-16,19,21-23,26-37,43,45,48-53H,4-11,13,17-18H2,1-3H3,(H,39,44)(H,40,46)(H,41,47,54)/b14-12+/t21-,22-,23+,26+,27-,28+,29+,30+,31-,32+,33-,34-,35-,36+,37+/m1/s1 |
SMILES | CC(C)CCCCCCCCC/C=C/C(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)NC(=O)C)C[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Akira TAKATSUKI, Kenji KAWAMURA, Masao OKINA, Yoshio KODAMA, Teiichiro ITO, Gakuzo TAMURA The Structure of Tunicamycin Agricultural and Biological Chemistry 1977 41 (11) 2307-2309. | ||
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DOI | 10.1271/bbb1961.41.2307 | PMID | - |