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CHEBI:208438 - Lyngbyabellin P

ChEBI IDCHEBI:208438
ChEBI NameLyngbyabellin P
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H53Cl2N3O12S2
Net Charge0
Average Mass854.869
Monoisotopic Mass853.24477
SMILESCCCC(=O)N[C@@H](CC(C)C)[C@H](O)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
InChIInChI=1S/C36H53Cl2N3O12S2/c1-9-11-27(44)39-21(14-19(2)3)24(42)15-28(45)51-16-25(43)30-40-23(18-54-30)34(48)52-26(12-10-13-36(7,37)38)20(4)32(46)53-29(35(5,6)49)31-41-22(17-55-31)33(47)50-8/h17-21,24-26,29,42-43,49H,9-16H2,1-8H3,(H,39,44)/t20-,21-,24+,25+,26-,29+/m0/s1
InChIKeyOBWCQUXEFAKVED-CBHXVBAKSA-N
Species of MetaboliteComponentSourceComments
Okeania (ncbitaxon:1458928) - PubMed (29019684)
ChEBI Ontology
Outgoing Relation(s)
Lyngbyabellin P (CHEBI:208438) has functional parent tetracarboxylic acid (CHEBI:35742)
Lyngbyabellin P (CHEBI:208438) 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)-4-(butanoylamino)-3-hydroxy-6-methylheptanoyl]oxy-1-hydroxyethyl]-1,3-thiazole-4-carboxylate
Manual XrefsDatabases
62453218ChemSpider