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CHEBI:184195 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(2-hydroxy-4-methoxyphenyl)-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid

ChEBI IDCHEBI:184195
ChEBI Name2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(2-hydroxy-4-methoxyphenyl)-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27N3O9S
Net Charge0
Average Mass485.515
Monoisotopic Mass485.14680
SMILESCOc1ccc(C(CC=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)c(O)c1
InChIInChI=1S/C20H27N3O9S/c1-32-11-2-3-12(15(25)8-11)16(6-7-24)33-10-14(19(29)22-9-18(27)28)23-17(26)5-4-13(21)20(30)31/h2-3,7-8,13-14,16,25H,4-6,9-10,21H2,1H3,(H,22,29)(H,23,26)(H,27,28)(H,30,31)
InChIKeyPZTUENGKEHDYLI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(2-hydroxy-4-methoxyphenyl)-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:184195) is a peptide (CHEBI:16670)
IUPAC Name 
2-amino-5-[[1-(carboxymethylamino)-3-[1-(2-hydroxy-4-methoxyphenyl)-3-oxopropyl]sulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
HMDB0135668HMDB