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CHEBI:185503 - DTXSID30596244

ChEBI IDCHEBI:185503
ChEBI NameDTXSID30596244
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H19I4NO10
Net Charge0
Average Mass952.996
Monoisotopic Mass952.71879
SMILESNC(Cc1cc(I)c(Oc2cc(I)c(OC3OC(C(=O)O)C(O)C(O)C3O)c(I)c2)c(I)c1)C(=O)O
InChIInChI=1S/C21H19I4NO10/c22-8-1-6(3-12(26)19(30)31)2-9(23)16(8)34-7-4-10(24)17(11(25)5-7)35-21-15(29)13(27)14(28)18(36-21)20(32)33/h1-2,4-5,12-15,18,21,27-29H,3,26H2,(H,30,31)(H,32,33)
InChIKeyRGHRJBIKIYUHEV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
DTXSID30596244 (CHEBI:185503) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
6-[4-[4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy]-2,6-diiodophenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
13732231ChemSpider