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CHEBI:180886 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(2-hydroxyphenyl)-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid

ChEBI IDCHEBI:180886
ChEBI Name2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(2-hydroxyphenyl)-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H25N3O8S
Net Charge0
Average Mass455.489
Monoisotopic Mass455.13624
SMILESNC(CCC(=O)NC(CSC(CC=O)c1ccccc1O)C(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C19H25N3O8S/c20-12(19(29)30)5-6-16(25)22-13(18(28)21-9-17(26)27)10-31-15(7-8-23)11-3-1-2-4-14(11)24/h1-4,8,12-13,15,24H,5-7,9-10,20H2,(H,21,28)(H,22,25)(H,26,27)(H,29,30)
InChIKeyQGAJBKQFGZCXRW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
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-hydroxyphenyl)-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:180886) is a peptide (CHEBI:16670)
IUPAC Name 
2-amino-5-[[1-(carboxymethylamino)-3-[1-(2-hydroxyphenyl)-3-oxopropyl]sulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
HMDB0134045HMDB