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CHEBI:190892 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1,3-dihydroxy-1-(2-hydroxyphenyl)propan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid

ChEBI IDCHEBI:190892
ChEBI Name2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1,3-dihydroxy-1-(2-hydroxyphenyl)propan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H27N3O9S
Net Charge0
Average Mass473.504
Monoisotopic Mass473.14680
SMILESNC(CCC(=O)NC(CSC(CO)C(O)c1ccccc1O)C(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C19H27N3O9S/c20-11(19(30)31)5-6-15(25)22-12(18(29)21-7-16(26)27)9-32-14(8-23)17(28)10-3-1-2-4-13(10)24/h1-4,11-12,14,17,23-24,28H,5-9,20H2,(H,21,29)(H,22,25)(H,26,27)(H,30,31)
InChIKeyLPLOTUHHDCJLRU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
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-{[1,3-dihydroxy-1-(2-hydroxyphenyl)propan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:190892) is a peptide (CHEBI:16670)
IUPAC Name 
2-amino-5-[[1-(carboxymethylamino)-3-[1,3-dihydroxy-1-(2-hydroxyphenyl)propan-2-yl]sulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
HMDB0134078HMDB