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

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S(8)-(2-methylpropanoyl)dihydrolipoamide

	Properties	Image
MNX_ID	MNXM740144
reference	chebi:17577
formula	C₁₂H₂₃NO₂S₂
global charge	0
mol weight	277.455
InChIKey	UEFURMXXHJCLJP-UHFFFAOYSA-N
InChI	InChI=1S/C12H23NO2S2/c1-9(2)12(15)17-8-7-10(16)5-3-4-6-11(13)14/h9-10,16H,3-8H2,1-2H3,(H2,13,14)
SMILES	CC(C)C(=O)SCCC(S)CCCCC(N)=O

MNX internals

InChI (mnx)	InChI=1/C12H23NO2S2/c1-9(2)12(15)17-8-7-10(16)5-3-4-6-11(13)14/h9-10,16H,3-8H2,1-2H3,(H2,13,14)/t10?
SMILES (mnx)	[CH3:1][CH:9]([CH3:2])[C:12](=[O:15])[S:17][CH2:8][CH2:7][CH:10]([CH2:5][CH2:3][CH2:4][CH2:6][C:11](=[NH:13])[OH:14])[SH:16]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17577 chebi:17577 UEFURMXXHJCLJP-UHFFFAOYSA-N	S(8)-(2-methylpropanoyl)dihydrolipoamide S-(2-Methylpropanoyl)-dihydrolipoamide S-(2-Methylpropionyl)-dihydrolipoamide S-(8-amino-8-oxo-3-sulfanyloctyl) 2-methylpropanethioate
bigg.metabolite:2mpdhl biggM:2mpdhl UEFURMXXHJCLJP-UHFFFAOYSA-N	S-(2-Methylpropanoyl)-dihydrolipoamide
vmhM:2mpdhl vmhmetabolite:2mpdhl UEFURMXXHJCLJP-UHFFFAOYSA-N	S-(2-Methylpropanoyl)-dihydrolipoamide 8-[(2-methylpropanoyl)sulfanyl]-6-sulfanyloctanamide
sabiork.compound:7303 sabiorkM:7303 kegg.compound:C04424 keggC:C04424 UEFURMXXHJCLJP-UHFFFAOYSA-N	S-(2-Methylpropanoyl)-dihydrolipoamide S-(2-Methylpropionyl)-dihydrolipoamide
lipidmaps:LMFA08010022 lipidmapsM:LMFA08010022 UEFURMXXHJCLJP-UHFFFAOYSA-N	S-(2-Methylpropionyl)-dihydrolipoamide-E 8-[(2-methylpropanoyl)sulfanyl]-6-sulfanyloctanamide
hmdb:HMDB0006868 UEFURMXXHJCLJP-UHFFFAOYSA-N	S-(2-Methylpropionyl)-dihydrolipoamide-E 8-[(2-methylpropanoyl)sulfanyl]-6-sulfanyloctanamide S-(2-Methylpropanoyl)-dihydrolipoamide S-(2-Methylpropanoyl)-dihydrolipoamide-e S-(2-Methylpropionyl)-dihydrolipoamide [Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase]S-(2-methylpropanoyl)dihydrolipoyllysine
hmdb:HMDB06868 chebi:12733 chebi:22013 chebi:8930 biggM:M_2mpdhl keggC:M_C04424 vmhM:M_2mpdhl	secondary/obsolete/fantasy identifier