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CHEBI:185082 - (2R,3R,4R,5S,6R)-6-{3-[(carbamimidoyl-C-hydroxycarbonimidoyl)methyl]-2,4-dichloro-5-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:185082
ChEBI Name(2R,3R,4R,5S,6R)-6-{3-[(carbamimidoyl-C-hydroxycarbonimidoyl)methyl]-2,4-dichloro-5-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H17Cl2N3O9
Net Charge0
Average Mass454.219
Monoisotopic Mass453.03418
SMILESNC(N)=NC(=O)Cc1c(Cl)c(O)cc(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c1Cl
InChIInChI=1S/C15H17Cl2N3O9/c16-7-3(1-6(22)20-15(18)19)8(17)5(2-4(7)21)28-14-11(25)9(23)10(24)12(29-14)13(26)27/h2,9-12,14,21,23-25H,1H2,(H,26,27)(H4,18,19,20,22)/t9-,10-,11+,12-,14+/m1/s1
InChIKeyAUDUMKPECIWTMB-DIACKHNESA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4R,5S,6R)-6-{3-[(carbamimidoyl-C-hydroxycarbonimidoyl)methyl]-2,4-dichloro-5-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:185082) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3R,4R,5S,6R)-6-[2,4-dichloro-3-[2-(diaminomethylideneamino)-2-oxoethyl]-5-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0061096HMDB
35031844ChemSpider