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CHEBI:181440 - 2-Amino-5-((1-((carboxymethyl)amino)-3-(hexylthio)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid

ChEBI IDCHEBI:181440
ChEBI Name2-Amino-5-((1-((carboxymethyl)amino)-3-(hexylthio)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H29N3O6S
Net Charge0
Average Mass391.490
Monoisotopic Mass391.17771
SMILESCCCCCCSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O
InChIInChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)
InChIKeyHXJDWCWJDCOHDG-UHFFFAOYSA-N
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-5-((1-((carboxymethyl)amino)-3-(hexylthio)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid (CHEBI:181440) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-amino-5-[[1-(carboxymethylamino)-3-hexylsulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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