MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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S(8)-(2-methylbutanoyl)dihydrolipoamide

	Properties	Image
MNX_ID	MNXM9096
reference	chebi:28692
formula	C₁₃H₂₅NO₂S₂
global charge	0
mol weight	291.482
InChIKey	UFNCWFSSEGPJNL-UHFFFAOYSA-N
InChI	InChI=1S/C13H25NO2S2/c1-3-10(2)13(16)18-9-8-11(17)6-4-5-7-12(14)15/h10-11,17H,3-9H2,1-2H3,(H2,14,15)
SMILES	CCC(C)C(=O)SCCC(S)CCCCC(N)=O

MNX internals

InChI (mnx)	InChI=1/C13H25NO2S2/c1-3-10(2)13(16)18-9-8-11(17)6-4-5-7-12(14)15/h10-11,17H,3-9H2,1-2H3,(H2,14,15)/t10?,11?
SMILES (mnx)	[CH3:1][CH2:3][CH:10]([CH3:2])[C:13](=[O:16])[S:18][CH2:9][CH2:8][CH:11]([CH2:6][CH2:4][CH2:5][CH2:7][C:12](=[NH:14])[OH:15])[SH:17]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28692 chebi:28692 UFNCWFSSEGPJNL-UHFFFAOYSA-N	S(8)-(2-methylbutanoyl)dihydrolipoamide S-(2-Methylbutanoyl)-dihydrolipoamide S-(8-amino-8-oxo-3-sulfanyloctyl) 2-methylbutanethioate
bigg.metabolite:2mbdhl biggM:2mbdhl bigg.metabolite:HC01376 biggM:HC01376 kegg.compound:C05118 keggC:C05118 UFNCWFSSEGPJNL-UHFFFAOYSA-N	S-(2-Methylbutanoyl)-dihydrolipoamide
seed.compound:cpd03045 seedM:cpd03045 UFNCWFSSEGPJNL-UHFFFAOYSA-N	S-(2-Methylbutanoyl)-dihydrolipoamide 2mbutdhla S-(2-methylbutanoyl)-dihydrolipoamide S-(2-methylbutyryl)dihydrolipoamide
vmhM:HC01376 vmhmetabolite:HC01376 UFNCWFSSEGPJNL-UHFFFAOYSA-N	S-(2-Methylbutanoyl)-dihydrolipoamide 8-[(2-methylbutanoyl)sulfanyl]-6-sulfanyloctanamide
hmdb:HMDB0006869 UFNCWFSSEGPJNL-UHFFFAOYSA-N	S-(2-Methylbutanoyl)-dihydrolipoamide 8-[(2-methylbutanoyl)sulfanyl]-6-sulfanyloctanamide S-(2-Methylbutanoyl)dihydrolipoyllysine [Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase]
metacyc.compound:CPD-941 metacycM:CPD-941 UFNCWFSSEGPJNL-UHFFFAOYSA-N	S-(2-methylbutanoyl)-dihydrolipoamide S-(2-methylbutyryl)dihydrolipoamide
hmdb:HMDB06869 chebi:22012 chebi:8929 biggM:M_2mbdhl biggM:M_HC01376 keggC:M_C05118 seedM:M_cpd03045 vmhM:M_HC01376	secondary/obsolete/fantasy identifier