Metabolite Dihydrolipoamide

Name

Dihydrolipoamide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

8RF8AN4JFL

CAS number

Not Available

Weight

Average: 207.357
Monoisotopic: 207.075155551

Chemical Formula

C₈H₁₇NOS₂

InChI Key

VLYUGYAKYZETRF-UHFFFAOYSA-N

InChI

InChI=1S/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)

IUPAC Name

6,8-disulfanyloctanimidic acid

SMILES

NC(=O)CCCCC(S)CCS

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0006-9700000000-936a7170a2da09aecf11
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0596-0920000000-bf4c81bb66b763d291d3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0190000000-9237d1880ca69859b2b8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0fai-1900000000-ddcc99da126b3f986e04
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0pir-7910000000-57e596697c653f1def48
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-7804b8fb1596ee856ba6
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004u-9400000000-fddf6db12106a18d169c

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	151.5408742	predicted	DarkChem Lite v0.1.0
[M-H]-	145.93105	predicted	DeepCCS 1.0 (2019)
[M+H]+	151.8336742	predicted	DarkChem Lite v0.1.0
[M+H]+	148.3469	predicted	DeepCCS 1.0 (2019)
[M+Na]+	151.6310742	predicted	DarkChem Lite v0.1.0
[M+Na]+	156.71365	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties