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CHEBI:185123 - (2S,3R,4S,5S,6S)-6-(4-{4-[(2R)-2-amino-2-carboxyethyl]phenoxy}-2,6-diiodophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:185123
ChEBI Name(2S,3R,4S,5S,6S)-6-(4-{4-[(2R)-2-amino-2-carboxyethyl]phenoxy}-2,6-diiodophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21I2NO10
Net Charge0
Average Mass701.204
Monoisotopic Mass700.92549
SMILESN[C@H](Cc1ccc(Oc2cc(I)c(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]3O)c(I)c2)cc1)C(=O)O
InChIInChI=1S/C21H21I2NO10/c22-11-6-10(32-9-3-1-8(2-4-9)5-13(24)19(28)29)7-12(23)17(11)33-21-16(27)14(25)15(26)18(34-21)20(30)31/h1-4,6-7,13-16,18,21,25-27H,5,24H2,(H,28,29)(H,30,31)/t13-,14+,15-,16+,18+,21-/m1/s1
InChIKeyYRBUOLMYUUYBEK-YIISYXSVSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4S,5S,6S)-6-(4-{4-[(2R)-2-amino-2-carboxyethyl]phenoxy}-2,6-diiodophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:185123) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
(2S,3R,4S,5S,6S)-6-[4-[4-[(2R)-2-amino-2-carboxyethyl]phenoxy]-2,6-diiodophenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0060110HMDB
30778534ChemSpider