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Compounds

COMPOUND NPA020938

STRUCTURE
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PROPERTIES
NPAID NPA020938
CLUSTER ID 195
NODE ID 183
NAME Trestatin A
FORMULA C56H94N2O40
MOLECULAR WEIGHT (Da) 1435.3420
ACCURATE MASS (Da) 1434.5383
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Streptomyces
ORIGIN SPECIES dimorphogenes nov. sp. NR-320-OM7HB
InChIKey PYVAAPGPTLLDGV-FTLKKVDPSA-N
InChI InChI=1S/C56H94N2O40/c1-12-23(57-16-3-14(5-59)25(66)31(72)26(16)67)29(70)38(79)50(86-12)94-46-19(8-62)89-52(41(82)34(46)75)93-45-15(6-60)4-17(27(68)33(45)74)58-24-13(2)87-51(39(80)30(24)71)95-47-20(9-63)90-53(42(83)35(47)76)96-48-21(10-64)91-54(43(84)36(48)77)97-49-22(11-65)92-56(44(85)37(49)78)98-55-40(81)32(73)28(69)18(7-61)88-55/h3-4,12-13,16-85H,5-11H2,1-2H3/t12-,13-,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+,45-,46+,47+,48+,49+,50-,51-,52-,53-,54-,55-,56-/m1/s1
SMILES C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]3[C@@H]([C@H]([C@H](C=C3CO)N[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@H]5[C@@H](O[C@@H]([C@H]([C@H]5O)O)O[C@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@H]7[C@H](O[C@@H]([C@H]([C@H]7O)O)O[C@@H]8[C@@H]([C@H]([C@H]([C@@H](O8)CO)O)O)O)CO)CO)CO)C)O)O)CO)O)O)N[C@H]9C=C([C@H]([C@@H]([C@H]9O)O)O)CO
ORIGINAL ISOLATION REFERENCE
CITATION Yokose K; Ogawa K; Suzuki Y; Umeda I; Suhara Y New alpha-amylase inhibitor, trestatins. II. Structure determination of trestatins A, B and C Journal of Antibiotics 1983 36 (9) 1166-1175.
DOI 10.7164/antibiotics.36.1166 PMID 6605334
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Actinobacteria LPSN 201174
Class Actinobacteria LPSN -
Order Streptomycetales LPSN 85011
Family Streptomycetaceae LPSN 2062
Genus Streptomyces LPSN 1883
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