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

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S(8)-glutaryldihydrolipoamide

	Properties	Image
MNX_ID	MNXM740467
reference	chebi:28391
formula	C₁₃H₂₃NO₄S₂
global charge	0
mol weight	321.464
InChIKey	PWTIHZUSTBSVGF-UHFFFAOYSA-N
InChI	InChI=1S/C13H23NO4S2/c14-11(15)5-2-1-4-10(19)8-9-20-13(18)7-3-6-12(16)17/h10,19H,1-9H2,(H2,14,15)(H,16,17)
SMILES	NC(=O)CCCCC(S)CCSC(=O)CCCC(=O)O

MNX internals

InChI (mnx)	InChI=1/C13H23NO4S2/c14-11(15)5-2-1-4-10(19)8-9-20-13(18)7-3-6-12(16)17/h10,19H,1-9H2,(H2,14,15)(H,16,17)/t10?
SMILES (mnx)	[CH2:1]([CH2:2][CH2:5][C:11](=[NH:14])[OH:15])[CH2:4][CH:10]([CH2:8][CH2:9][S:20][C:13]([CH2:7][CH2:3][CH2:6][C:12](=[O:16])[OH:17])=[O:18])[SH:19]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28391 chebi:28391 PWTIHZUSTBSVGF-UHFFFAOYSA-N	S(8)-glutaryldihydrolipoamide 5-[(8-amino-8-oxo-3-sulfanyloctyl)sulfanyl]-5-oxopentanoic acid S-Glutaryldihydrolipoamide S-Glutaryldihydrolipoamide-E
bigg.metabolite:HC01712 biggM:HC01712 PWTIHZUSTBSVGF-UHFFFAOYSA-M	S-Glutaryldihydrolipoamide
vmhM:HC01712 vmhmetabolite:HC01712 PWTIHZUSTBSVGF-UHFFFAOYSA-M	S-Glutaryldihydrolipoamide 5-[(7-carbamoyl-3-sulfanylheptyl)sulfanyl]-5-oxopentanoic acid
hmdb:HMDB0006832 PWTIHZUSTBSVGF-UHFFFAOYSA-N	S-Glutaryldihydrolipoamide 5-[(7-carbamoyl-3-sulfanylheptyl)sulfanyl]-5-oxopentanoic acid S(8)-glutaryldihydrolipoamide S-Glutaryldihydrolipoamide-e
hmdb:HMDB06832 chebi:22047 chebi:8958 biggM:M_HC01712 vmhM:M_HC01712	secondary/obsolete/fantasy identifier