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

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5-methylsulfanyl-2,3-dioxopentyl phosphate

	Properties	Image
MNX_ID	MNXM162358
reference	chebi:58828
formula	C₆H₉O₆PS
global charge	-2
mol weight	240.173
InChIKey	HKEAOVFNWRDVAJ-UHFFFAOYSA-L
InChI	InChI=1S/C6H11O6PS/c1-14-3-2-5(7)6(8)4-12-13(9,10)11/h2-4H2,1H3,(H2,9,10,11)/p-2
SMILES	CSCCC(=O)C(=O)COP(=O)([O-])[O-]

MNX internals

InChI (mnx)	InChI=1/C6H11O6PS/c1-14-3-2-5(7)6(8)4-12-13(9,10)11/h2-4H2,1H3,(H2,9,10,11)
SMILES (mnx)	[CH3:1][S:14][CH2:3][CH2:2][C:5]([C:6]([CH2:4][O:12][P:13]([OH:9])([OH:10])=[O:11])=[O:8])=[O:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	13

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-1237176 reactomeM:R-ALL-1237176 CHEBI:58828 chebi:58828 HKEAOVFNWRDVAJ-UHFFFAOYSA-L	5-methylsulfanyl-2,3-dioxopentyl phosphate 5-(methylsulfanyl)-1-(phosphonatooxy)pentane-2,3-dione 5-(methylsulfanyl)-2,3-dioxopentyl phosphate 5-(methylsulfanyl)-2,3-dioxopentyl phosphate(2-)
kegg.compound:C15650 keggC:C15650 HKEAOVFNWRDVAJ-UHFFFAOYSA-N	2,3-Diketo-5-methylthiopentyl-1-phosphate 5-(Methylsulfanyl)-2,3-dioxopentyl phosphate 5-(Methylthio)-2,3-dioxopentyl phosphate
bigg.metabolite:dkmpp biggM:dkmpp HKEAOVFNWRDVAJ-UHFFFAOYSA-L	2,3-diketo-5-methylthio-1-phosphopentane
vmhM:dkmpp vmhmetabolite:dkmpp HKEAOVFNWRDVAJ-UHFFFAOYSA-L	2,3-diketo-5-methylthio-1-phosphopentane {[5-(methylsulfanyl)-2,3-dioxopentyl]oxy}phosphonic acid
seed.compound:cpd11295 seedM:cpd11295 HKEAOVFNWRDVAJ-UHFFFAOYSA-L	2,3-diketo5-methylthio-1-phosphopentane 1-phospho-2,3-diketo-5-methylthiopentane 1-phosphoryloxy-2,3-diketo-5-methylthiopentane 2,3-Diketo-5-methylthiopentyl-1-phosphate 2,3-diketo-5-methylthio 1-phosphopentane 2,3-diketo-5-methylthio-1-phosphopentane 2,3-diketo-5-methylthiopentyl 1-phosphate 2,3-diketo-5-methylthiopentyl-1-phosphate 2-3-diketo-5-methylthio-1-phosphopentane 5-(Methylthio)-2,3-dioxopentyl phosphate 5-(methylsulfanyl)-2,3-dioxopentyl 1-phosphate 5-(methylsulfanyl)-2,3-dioxopentyl phosphate 5-(methylthio)-2,3-dioxopentyl 1-phosphate 5-(methylthio)-2,3-dioxopentyl phosphate 5-methylthio-1-(phosphonooxy)pentane-2,3-dione DKM-1-P dkmpp
hmdb:HMDB0059620 HKEAOVFNWRDVAJ-UHFFFAOYSA-N	5-(Methylthio)-2,3-dioxopentyl phosphate 1-PDMSP 1-Phospho-2,3-diketo-5-S-methylthiopentane 1-pdmsp 2,3-Diketo-5-methylthio-1-phosphopentane 2,3-Diketo-5-methylthiopentyl-1-phosphate 2,3-Diketo-5-methylthiopentyl-1-phosphoric acid 5-(Methylsulfanyl)-2,3-dioxopentyl phosphate 5-(Methylsulfanyl)-2,3-dioxopentyl phosphoric acid 5-(Methylsulphanyl)-2,3-dioxopentyl phosphate 5-(Methylsulphanyl)-2,3-dioxopentyl phosphoric acid 5-(Methylthio)-1-(phosphonooxy)-2,3-pentanedione 5-(Methylthio)-2,3-dioxopentyl phosphoric acid 5-Methylthio-1-(phosphonooxy)pentane-2,3-dione DK-MTP-1-p {[5-(methylsulfanyl)-2,3-dioxopentyl]oxy}phosphonic acid
metacyc.compound:CPD-8999 metacycM:CPD-8999 HKEAOVFNWRDVAJ-UHFFFAOYSA-L	5-(methylsulfanyl)-2,3-dioxopentyl 1-phosphate 1-phospho-2,3-diketo-5-methylthiopentane 1-phosphoryloxy-2,3-diketo-5-methylthiopentane 2,3-diketo-5-methylthio 1-phosphopentane 2,3-diketo-5-methylthiopentyl 1-phosphate 5-(methylsulfanyl)-2,3-dioxopentyl phosphate 5-(methylthio)-2,3-dioxopentyl 1-phosphate 5-(methylthio)-2,3-dioxopentyl phosphate 5-methylthio-1-(phosphonooxy)pentane-2,3-dione DKM-1-P
CHEBI:50604 chebi:50604 HKEAOVFNWRDVAJ-UHFFFAOYSA-N	5-(methylsulfanyl)-2,3-dioxopentyl phosphate 1-Phospho-2,3-diketo-5-S-methylthiopentane 2,3-Diketo-5-methylthiopentyl-1-phosphate 2,3-diketo-5-methylthio-1-phosphopentane 5-(Methylthio)-2,3-dioxopentyl phosphate 5-(methylsulfanyl)-2,3-dioxopentyl dihydrogen phosphate 5-methylthio-1-(phosphonooxy)pentane-2,3-dione
hmdb:HMDB0060266 hmdb:HMDB0062750 hmdb:HMDB59620 hmdb:HMDB60266 hmdb:HMDB62750 biggM:M_dkmpp keggC:M_C15650 seedM:M_cpd11295 vmhM:M_dkmpp	secondary/obsolete/fantasy identifier