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CHEBI:218607 - Lyngbyabellin F

ChEBI IDCHEBI:218607
ChEBI NameLyngbyabellin F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC38H55Cl2N3O13S2
Net Charge0
Average Mass896.906
Monoisotopic Mass895.25534
SMILESCCCC(=O)N[C@@H](CC(C)C)[C@@H](CC(=O)OC[C@@H](O)c1nc(C(=O)O[C@@H](CCCC(C)(Cl)Cl)[C@H](C)C(=O)O[C@H](c2nc(C(=O)OC)cs2)C(C)(C)O)cs1)OC(C)=O
InChIInChI=1S/C38H55Cl2N3O13S2/c1-10-12-29(46)41-23(15-20(2)3)28(54-22(5)44)16-30(47)53-17-26(45)32-42-25(19-57-32)36(50)55-27(13-11-14-38(8,39)40)21(4)34(48)56-31(37(6,7)51)33-43-24(18-58-33)35(49)52-9/h18-21,23,26-28,31,45,51H,10-17H2,1-9H3,(H,41,46)/t21-,23-,26+,27-,28+,31+/m0/s1
InChIKeyUJOHOMHVFQPIEM-HPZYSZHWSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - DOI (10.1016/j.tet.2005.09.036)
ChEBI Ontology
Outgoing Relation(s)
Lyngbyabellin F (CHEBI:218607) has functional parent hexacarboxylic acid (CHEBI:59359)
Lyngbyabellin F (CHEBI:218607) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(2S,3S)-7,7-dichloro-1-[(1S)-2-hydroxy-1-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2-methylpropoxy]-2-methyl-1-oxooctan-3-yl] 2-[(1R)-2-[(3R,4S)-3-acetyloxy-4-(butanoylamino)-6-methylheptanoyl]oxy-1-hydroxyethyl]-1,3-thiazole-4-carboxylate
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9724483ChemSpider