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N-Linolyl-L-glutamine (18:2-Gln)
SpectraBase Compound ID 39pikrMeRmf
InChI InChI=1S/C23H40N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)25-20(23(28)29)18-19-21(24)26/h6-7,9-10,20H,2-5,8,11-19H2,1H3,(H2,24,26)(H,25,27)(H,28,29)/b7-6-,10-9-/t20-/m0/s1
InChIKey HDRFYISWHFCNJB-GSNKCQISSA-N
Mol Weight 408.6 g/mol
Molecular Formula C23H40N2O4
Exact Mass 408.298808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGQiUwWYBAe
Name N-Linolyl-L-glutamine (18:2-Gln)
Alternate Name(s) (2S)-5-amino-2-[(9Z,12Z)-9,12-octadecadienoylamino]-5-oxopentanoic acid (S)-4-Carbamoyl-2-((9Z,12Z)-octadeca-9,12-dienoylamino)-butyric acid (2S)-5-amino-5-oxo-2-[[(9Z,12Z)-1-oxooctadeca-9,12-dienyl]amino]pentanoic acid (2S)-5-amino-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]-5-oxopentanoic acid (2S)-5-amino-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]-5-oxo-pentanoic acid (2S)-5-azanyl-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]-5-oxidanylidene-pentanoic acid
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Formula C23H40N2O4
InChI InChI=1S/C23H40N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)25-20(23(28)29)18-19-21(24)26/h6-7,9-10,20H,2-5,8,11-19H2,1H3,(H2,24,26)(H,25,27)(H,28,29)/b7-6-,10-9-/t20-/m0/s1
InChIKey HDRFYISWHFCNJB-GSNKCQISSA-N
Molecular Weight 408.583 g/mol
SMILES N([C@@](CCC(=O)N)(C(=O)O)[H])C(=O)CCCCCCC\C=C/C\C=C/CCCCC
SPLASH splash10-0cgi-9321000000-dd008d2076960cef0eeb
Source of Spectrum F-55-11279-5
Wiley ID 839243