(2S)-2-[[(9Z,12Z)-1-oxooctadeca-9,12-dienyl]amino]pentanedioic acid

SpectraBase Compound ID	880Vk0j8KV4
InChI	InChI=1S/C23H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27/h6-7,9-10,20H,2-5,8,11-19H2,1H3,(H,24,25)(H,26,27)(H,28,29)/b7-6-,10-9-/t20-/m0/s1
InChIKey	KUOWDMBZTRBDRI-GSNKCQISSA-N Google Search
Mol Weight	409.6 g/mol
Molecular Formula	C23H39NO5
Exact Mass	409.282823 g/mol

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SpectraBase Spectrum ID	4e6hvsLo3I8
Name	(2S)-2-[[(9Z,12Z)-1-oxooctadeca-9,12-dienyl]amino]pentanedioic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H39NO5
InChI	InChI=1S/C23H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27/h6-7,9-10,20H,2-5,8,11-19H2,1H3,(H,24,25)(H,26,27)(H,28,29)/b7-6-,10-9-/t20-/m0/s1
InChIKey	KUOWDMBZTRBDRI-GSNKCQISSA-N
Molecular Weight	409.567 g/mol
SMILES	N([C@@](CCC(=O)O)(C(=O)O)[H])C(=O)CCCCCCC\C=C/C\C=C/CCCCC
SPLASH	splash10-001j-7920000000-84c9aea0c3ce814fc7ed
Source of Spectrum	F-55-11279-6
Synonyms	(2S)-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]glutaric acid (2S)-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]pentanedioic acid
Wiley ID	839242