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

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4,4'-disulfanyldibutanoate

	Properties	Image
MNX_ID	MNXM148651
reference	chebi:138359
formula	C₈H₁₂O₄S₂
global charge	-2
mol weight	236.314
InChIKey	YYSCJLLOWOUSHH-UHFFFAOYSA-L
InChI	InChI=1S/C8H14O4S2/c9-7(10)3-1-5-13-14-6-2-4-8(11)12/h1-6H2,(H,9,10)(H,11,12)/p-2
SMILES	O=C([O-])CCCSSCCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C8H14O4S2/c9-7(10)3-1-5-13-14-6-2-4-8(11)12/h1-6H2,(H,9,10)(H,11,12)
SMILES (mnx)	[CH2:1]([CH2:3][C:7](=[O:9])[OH:10])[CH2:5][S:13][S:14][CH2:6][CH2:2][CH2:4][C:8](=[O:11])[OH:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:138359 chebi:138359 YYSCJLLOWOUSHH-UHFFFAOYSA-L	4,4'-disulfanyldibutanoate 4,4'-disulfanediyldibutanoate 4,4'-disulfanediyldibutyrate 4,4'-dithiodibutanoate 4,4'-dithiodibutyrate
seed.compound:cpd34277 seedM:cpd34277 YYSCJLLOWOUSHH-UHFFFAOYSA-L	3-carboxypropyl disulfide 4,4'-disulfanediyldibutanoate 4,4'-disulfanyldibutanoate 4,4'-dithiodibutanoate 4,4'-dithiodibutanoic acid 4,4'-dithiodibutyrate 4,4'-dithiodibutyric acid
kegg.compound:C21737 keggC:C21737 YYSCJLLOWOUSHH-UHFFFAOYSA-N	4,4'-Disulfanediyldibutanoate
metacyc.compound:CPD-16588 metacycM:CPD-16588 YYSCJLLOWOUSHH-UHFFFAOYSA-L	4,4'-disulfanediyldibutanoate 3-carboxypropyl disulfide 4,4'-disulfanyldibutanoate 4,4'-dithiodibutanoate 4,4'-dithiodibutanoic acid 4,4'-dithiodibutyrate 4,4'-dithiodibutyric acid
CHEBI:138402 chebi:138402 YYSCJLLOWOUSHH-UHFFFAOYSA-N	4,4'-disulfanyldibutanoic acid 4,4'-disulfanediyldibutanoic acid 4,4'-dithiodibutanoic acid 4,4'-dithiodibutyric acid 5,6-dithia-decanedioic acid
keggC:M_C21737 seedM:M_cpd34277	secondary/obsolete/fantasy identifier