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CHEBI:230787 - (3S)-3-[[(2S)-2-[[(2S)-2-Amino-3-methylbutanoyl]amino]propanoyl]-phenylmethoxycarbonylamino]-6-fluoro-4,5-dioxohexanoic acid

ChEBI IDCHEBI:230787
ChEBI Name(3S)-3-[[(2S)-2-[[(2S)-2-Amino-3-methylbutanoyl]amino]propanoyl]-phenylmethoxycarbonylamino]-6-fluoro-4,5-dioxohexanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28FN3O8
Net Charge0
Average Mass481.477
Monoisotopic Mass481.18604
SMILESCC(NC(=O)C(N)C(C)C)C(=O)N(C(=O)OCc1ccccc1)C(CC(=O)O)C(=O)C(=O)CF
InChIInChI=1S/C22H28FN3O8/c1-12(2)18(24)20(31)25-13(3)21(32)26(15(9-17(28)29)19(30)16(27)10-23)22(33)34-11-14-7-5-4-6-8-14/h4-8,12-13,15,18H,9-11,24H2,1-3H3,(H,25,31)(H,28,29)
InChIKeyKZAABXGRCQBNKB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(3S)-3-[[(2S)-2-[[(2S)-2-Amino-3-methylbutanoyl]amino]propanoyl]-phenylmethoxycarbonylamino]-6-fluoro-4,5-dioxohexanoic acid (CHEBI:230787) is a peptide (CHEBI:16670)
IUPAC Name 
3-[2-[(2-amino-3-methylbutanoyl)amino]propanoyl-phenylmethoxycarbonylamino]-6-luoro-4,5-dioxohexanoic acid
Manual XrefsDatabases
HMDB0257943HMDB