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CHEBI:181963 - 3-Hydroxy-2-[[3-(3-hydroxy-6-methyloctanoyl)oxy-8-methylnonanoyl]amino]propanoic acid

ChEBI IDCHEBI:181963
ChEBI Name3-Hydroxy-2-[[3-(3-hydroxy-6-methyloctanoyl)oxy-8-methylnonanoyl]amino]propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H41NO7
Net Charge0
Average Mass431.570
Monoisotopic Mass431.28830
SMILESCCC(C)CCC(O)CC(=O)OC(CCCCC(C)C)CC(=O)NC(CO)C(=O)O
InChIInChI=1S/C22H41NO7/c1-5-16(4)10-11-17(25)12-21(27)30-18(9-7-6-8-15(2)3)13-20(26)23-19(14-24)22(28)29/h15-19,24-25H,5-14H2,1-4H3,(H,23,26)(H,28,29)
InChIKeyLQIHCTVXRQRKEH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxy-2-[[3-(3-hydroxy-6-methyloctanoyl)oxy-8-methylnonanoyl]amino]propanoic acid (CHEBI:181963) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
3-hydroxy-2-[[3-(3-hydroxy-6-methyloctanoyl)oxy-8-methylnonanoyl]amino]propanoic acid