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CHEBI:193910 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2,3-dihydroxy-2-pentyl-1-phenylpropyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

ChEBI IDCHEBI:193910
ChEBI Name2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2,3-dihydroxy-2-pentyl-1-phenylpropyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H37N3O8S
Net Charge0
Average Mass527.640
Monoisotopic Mass527.23014
SMILESCCCCCC(O)(CO)C(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)c1ccccc1
InChIInChI=1S/C24H37N3O8S/c1-2-3-7-12-24(35,15-28)21(16-8-5-4-6-9-16)36-14-18(22(32)26-13-20(30)31)27-19(29)11-10-17(25)23(33)34/h4-6,8-9,17-18,21,28,35H,2-3,7,10-15,25H2,1H3,(H,26,32)(H,27,29)(H,30,31)(H,33,34)
InChIKeyWBVDSOCRKVQQNZ-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-[(2,3-dihydroxy-2-pentyl-1-phenylpropyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:193910) is a peptide (CHEBI:16670)
IUPAC Name 
2-amino-5-[[1-(carboxymethylamino)-3-[2-hydroxy-2-(hydroxymethyl)-1-phenylheptyl]sulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid