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Details of Lipoic acid, dihydro- (3TMS)

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Role	Analyte
name	Lipoic acid, dihydro- (3TMS)
MPIMP ID	A223017
isotopomer	ambient
formula	C17H40O2S2Si3
molecular mass	424.887
monoisotopic mass	424.17775
InChI	InChI=1S/C17H40O2S2Si3/c1-22(2,3)19-17(18)13-11-10-12-16(21-24(7,8)9)14-15-20-23(4,5)6/h16H,10-15H2,1-9H3
InChIKey	QRDHFPVKGNALQX-UHFFFAOYSA-N
substructure TMS
substructure TBS
substructure H3ON
substructure CH3O
retention index (VAR5 method, n-alkanes C10–C36)	2,233.14
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%273a3fde95-4c2b-40d8-b234-072fe46a92a2%27)

Synonyms of Lipoic acid, dihydro- (3TMS)

property	value
synonym	[421] dihydrolipoic acid [20.72]
synonym	Lipoic acid, dihydro- (3TMS)
2 synonym(s)

Metabolite mapped to Lipoic acid, dihydro- (3TMS)

metabolite	stereoisomer	isotopomer
Lipoic acid, dihydro-	DL-	ambient
1 metabolite(s)

Reference spectra of Lipoic acid, dihydro- (3TMS)

replica	entry date	method
1	3/30/2011 4:52:37 PM	Fiehn_GC_2010
2	8/28/2012 5:51:49 PM	MassBank GC 2010 Ara
2 spectrum(a)

compound timestamp information
deposited	at 3/28/2011 by Kopka J., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 10/1/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Kopka J., Hummel J.

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