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

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1,2-dihydroxy-5-(methylsulfanyl)pent-1-en-3-one

	Properties	Image
MNX_ID	MNXM1369793
reference	chebi:49252
formula	C₆H₁₀O₃S
global charge	0
mol weight	162.21
InChIKey	CILXJJLQPTUUSS-XQRVVYSFSA-N
InChI	InChI=1S/C6H10O3S/c1-10-3-2-5(8)6(9)4-7/h4,7,9H,2-3H2,1H3/b6-4-
SMILES	CSCCC(=O)/C(O)=C/O

MNX internals

InChI (mnx)	InChI=1/C6H10O3S/c1-10-3-2-5(8)6(9)4-7/h4,7,9H,2-3H2,1H3/b6-4-
SMILES (mnx)	[CH3:1][S:10][CH2:3][CH2:2][C:5](/[C:6](=[CH:4]/[OH:7])[OH:9])=[O:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	10

Similar chemical compounds in external resources
Identifier	Description
CHEBI:49252 chebi:49252 CILXJJLQPTUUSS-XQRVVYSFSA-N	1,2-dihydroxy-5-(methylsulfanyl)pent-1-en-3-one 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one
bigg.metabolite:12d3k5m biggM:12d3k5m	1 2 dihydroxy 3 keto 5 methylthiopentene
hmdb:HMDB0012134 CILXJJLQPTUUSS-XQRVVYSFSA-N	1,2-Dihydroxy-3-keto-5-methylthiopentene (1Z)-1,2-dihydroxy-5-(methylsulfanyl)pent-1-en-3-one 1,2-Dihydroxy-3-keto-5-methylthiopentane 1,2-Dihydroxy-3-keto-5-methylthiopentene anion 1,2-Dihydroxy-5-(methylsulfanyl)pent-1-en-3-one 1,2-Dihydroxy-5-(methylsulphanyl)pent-1-en-3-one 1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one Acireductone
bigg.metabolite:M00245 biggM:M00245 CILXJJLQPTUUSS-XQRVVYSFSA-N	1,2-Dihydroxy-5-(Methylthio)Pent-1-En-3-One
vmhM:M00245 vmhmetabolite:M00245 CILXJJLQPTUUSS-XQRVVYSFSA-N	1,2-Dihydroxy-5-(Methylthio)Pent-1-En-3-One (1Z)-1,2-dihydroxy-5-(methylsulfanyl)pent-1-en-3-one
vmhM:dhmtp vmhmetabolite:dhmtp CILXJJLQPTUUSS-XQRVVYSFSA-M	1,2-Dihydroxy-5-(Methylthio)Pent-1-En-3-One 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
bigg.metabolite:dhmtp biggM:dhmtp CILXJJLQPTUUSS-XQRVVYSFSA-M	1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one
kegg.compound:C15606 keggC:C15606 CILXJJLQPTUUSS-XQRVVYSFSA-N	1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one 1,2-Dihydroxy-5-(methylsulfanyl)pent-1-en-3-one
metacyc.compound:CPD-85 metacycM:CPD-85 CILXJJLQPTUUSS-XQRVVYSFSA-M	1,2-dihydroxy-5-(methylsulfanyl)pent-1-en-3-one 1,2-dihydroxy-3-keto-5-methylthiopentane 1,2-dihydroxy-3-keto-5-methylthiopentene 1,2-dihydroxy-3-keto-5-methylthiopentene anion 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one acireductone
reactome:R-ALL-1237155 reactomeM:R-ALL-1237155 CHEBI:58795 chebi:58795 CILXJJLQPTUUSS-XQRVVYSFSA-M	1-hydroxy-5-(methylthio)-3-oxopent-1-en-2-olate 1-hydroxy-5-(methylsulfanyl)-3-oxopent-1-en-2-olate
hmdb:HMDB12134 biggM:M_12d3k5m biggM:M_M00245 biggM:M_dhmtp keggC:M_C15606 vmhM:M_M00245 vmhM:M_dhmtp	secondary/obsolete/fantasy identifier