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CHEBI:202524 - Lyngbyabellin D

ChEBI IDCHEBI:202524
ChEBI NameLyngbyabellin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC38H55Cl2N3O13S2
Net Charge0
Average Mass896.906
Monoisotopic Mass895.25534
SMILESCCCC(=O)N[C@@H](C(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)(O)CC)cs1)OC(C)=O
InChIInChI=1S/C38H55Cl2N3O13S2/c1-10-13-28(46)43-30(20(3)4)27(54-22(6)44)16-29(47)53-17-25(45)32-41-24(19-57-32)36(50)55-26(14-12-15-38(8,39)40)21(5)34(48)56-31(37(7,51)11-2)33-42-23(18-58-33)35(49)52-9/h18-21,25-27,30-31,45,51H,10-17H2,1-9H3,(H,43,46)/t21-,25-,26+,27-,30+,31+,37+/m1/s1
InChIKeyVDFRHOQVEAPBIB-JSFAYXRVSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - PubMed (12762789)
ChEBI Ontology
Outgoing Relation(s)
Lyngbyabellin D (CHEBI:202524) has functional parent hexacarboxylic acid (CHEBI:59359)
Lyngbyabellin D (CHEBI:202524) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(2R,3S)-7,7-dichloro-1-[(1R,2S)-2-hydroxy-1-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2-methylbutoxy]-2-methyl-1-oxooctan-3-yl] 2-[(1R)-2-[(3R,4S)-3-acetyloxy-4-(butanoylamino)-5-methylhexanoyl]oxy-1-hydroxyethyl]-1,3-thiazole-4-carboxylate
Manual XrefsDatabases
9106209ChemSpider