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CHEBI:184885 - 6-{4-[4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy]-2-iodophenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:184885
ChEBI Name6-{4-[4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy]-2-iodophenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20I3NO10
Net Charge0
Average Mass827.100
Monoisotopic Mass826.82214
SMILESNC(Cc1cc(I)c(Oc2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)c(I)c2)c(I)c1)C(=O)O
InChIInChI=1S/C21H20I3NO10/c22-9-6-8(33-17-10(23)3-7(4-11(17)24)5-12(25)19(29)30)1-2-13(9)34-21-16(28)14(26)15(27)18(35-21)20(31)32/h1-4,6,12,14-16,18,21,26-28H,5,25H2,(H,29,30)(H,31,32)
InChIKeyYYFGGGCINNGOLE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
6-{4-[4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy]-2-iodophenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:184885) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
6-[4-[4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy]-2-iodophenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid