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CHEBI:182676 - 4-[2-[[(3S)-2,3-Dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid

ChEBI IDCHEBI:182676
ChEBI Name4-[2-[[(3S)-2,3-Dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H23NO8
Net Charge0
Average Mass369.370
Monoisotopic Mass369.14237
SMILESC[C@H](O)C(O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)O)[C@H](C)O
InChIInChI=1S/C17H23NO8/c1-10(19)17(25,11(2)20)16(24)26-9-12-5-3-4-6-13(12)18-14(21)7-8-15(22)23/h3-6,10-11,19-20,25H,7-9H2,1-2H3,(H,18,21)(H,22,23)/t10-,11-/m0/s1
InChIKeyDNDACVRMGDHDQY-QWRGUYRKSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[2-[[(3S)-2,3-Dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid (CHEBI:182676) has functional parent benzyl alcohol (CHEBI:17987)
4-[2-[[(3S)-2,3-Dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid (CHEBI:182676) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
4-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid
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