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CHEBI:182727 - 2-amino-5-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-5-oxopentanoic acid

ChEBI IDCHEBI:182727
ChEBI Name2-amino-5-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-5-oxopentanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26N2O8
Net Charge0
Average Mass398.412
Monoisotopic Mass398.16892
SMILESC[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(N)C(=O)O)[C@H](C)O
InChIInChI=1S/C18H26N2O8/c1-10(21)18(27,11(2)22)17(26)28-9-12-5-3-4-6-14(12)20-15(23)8-7-13(19)16(24)25/h3-6,10-11,13,21-22,27H,7-9,19H2,1-2H3,(H,20,23)(H,24,25)/t10-,11-,13?/m0/s1
InChIKeyNFINSJKQOBJWEB-WAQLSPKVSA-N
ChEBI Ontology
Outgoing Relation(s)
2-amino-5-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-5-oxopentanoic acid (CHEBI:182727) is a glutamine derivative (CHEBI:70813)
IUPAC Name 
2-amino-5-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-5-oxopentanoic acid
Manual XrefsDatabases
29814107ChemSpider