EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:207243 - 2-[2-[19-amino-6-(3,4-dicarboxybutanoyloxy)-11,17,18-trihydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid

ChEBI IDCHEBI:207243
ChEBI Name2-[2-[19-amino-6-(3,4-dicarboxybutanoyloxy)-11,17,18-trihydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H57NO15
Net Charge0
Average Mass707.811
Monoisotopic Mass707.37282
SMILESCCCCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CC(O)CCCCCC(O)C(O)CN)OC(=O)CC(CC(=O)O)C(=O)O
InChIInChI=1S/C33H57NO15/c1-4-5-9-20(3)31(49-30(43)17-22(33(46)47)15-28(40)41)26(48-29(42)16-21(32(44)45)14-27(38)39)13-19(2)12-23(35)10-7-6-8-11-24(36)25(37)18-34/h19-26,31,35-37H,4-18,34H2,1-3H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)
InChIKeyNEDXQMNVABJYOE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Fusarium oxysporum (ncbitaxon:5507) - PubMed (10075786)
ChEBI Ontology
Outgoing Relation(s)
2-[2-[19-amino-6-(3,4-dicarboxybutanoyloxy)-11,17,18-trihydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid (CHEBI:207243) has functional parent pentacarboxylic acid (CHEBI:35743)
2-[2-[19-amino-6-(3,4-dicarboxybutanoyloxy)-11,17,18-trihydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid (CHEBI:207243) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[2-[19-amino-6-(3,4-dicarboxybutanoyloxy)-11,17,18-trihydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid
Manual XrefsDatabases
8970194ChemSpider