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CHEBI:212559 - 2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-11,16,18-trihydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid

ChEBI IDCHEBI:212559
ChEBI Name2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-11,16,18-trihydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H59NO16
Net Charge0
Average Mass749.848
Monoisotopic Mass749.38338
SMILESCCCCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CC(O)CCCCC(O)CC(O)CNC(C)=O)OC(=O)CC(CC(=O)O)C(=O)O
InChIInChI=1S/C35H59NO16/c1-5-6-9-21(3)33(52-32(46)17-24(35(49)50)15-30(43)44)28(51-31(45)16-23(34(47)48)14-29(41)42)13-20(2)12-25(38)10-7-8-11-26(39)18-27(40)19-36-22(4)37/h20-21,23-28,33,38-40H,5-19H2,1-4H3,(H,36,37)(H,41,42)(H,43,44)(H,47,48)(H,49,50)
InChIKeyPKHVSGRRWILZAY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Fusarium oxysporum (ncbitaxon:5507) - PubMed (10075786)
ChEBI Ontology
Outgoing Relation(s)
2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-11,16,18-trihydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid (CHEBI:212559) has functional parent pentacarboxylic acid (CHEBI:35743)
2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-11,16,18-trihydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid (CHEBI:212559) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[2-[19-acetamido-6-(3,4-dicarboxybutanoyloxy)-11,16,18-trihydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid
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