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CHEBI:193911 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1,3-dihydroxy-2-pentyl-1-phenylpropan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

ChEBI IDCHEBI:193911
ChEBI Name2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1,3-dihydroxy-2-pentyl-1-phenylpropan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H37N3O8S
Net Charge0
Average Mass527.640
Monoisotopic Mass527.23014
SMILESCCCCCC(CO)(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(O)c1ccccc1
InChIInChI=1S/C24H37N3O8S/c1-2-3-7-12-24(15-28,21(32)16-8-5-4-6-9-16)36-14-18(22(33)26-13-20(30)31)27-19(29)11-10-17(25)23(34)35/h4-6,8-9,17-18,21,28,32H,2-3,7,10-15,25H2,1H3,(H,26,33)(H,27,29)(H,30,31)(H,34,35)
InChIKeyLSDXHDAFQBPMFE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
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-2-pentyl-1-phenylpropan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:193911) is a peptide (CHEBI:16670)
IUPAC Name 
2-amino-5-[[1-(carboxymethylamino)-3-[1-hydroxy-2-(hydroxymethyl)-1-phenylheptan-2-yl]sulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid