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

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thymine

	Properties	Image
MNX_ID	MNXM1369302
reference	chebi:17821
formula	C₅H₆N₂O₂
global charge	0
mol weight	126.115
InChIKey	RWQNBRDOKXIBIV-UHFFFAOYSA-N
InChI	InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
SMILES	CC1=CNC(=O)NC1=O

MNX internals

InChI (mnx)	InChI=1/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
SMILES (mnx)	[CH3:1][C:3]1=[CH:2][N:6]=[C:5]([OH:9])[N:7]=[C:4]1[OH:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	29
in models (compartimentalized)	20

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-29692 reactomeM:R-ALL-29692 reactome:R-ALL-83959 reactomeM:R-ALL-83959 reactome:R-ALL-83960 reactomeM:R-ALL-83960 CHEBI:17821 chebi:17821 RWQNBRDOKXIBIV-UHFFFAOYSA-N	thymine 2,4-dihydroxy-5-methylpyrimidine 5-Methyluracil 5-methyl-2,4(1H,3H)-pyrimidinedione 5-methylpyrimidine-2,4(1H,3H)-dione 5-methyluracil T THYMINE Thy Thymin Thymine
CHEBI:182174 chebi:182174 RWQNBRDOKXIBIV-UHFFFAOYSA-N	5-(Trideuteriomethyl)-1H-pyrimidine-2,4-dione 5-(trideuteriomethyl)-1H-pyrimidine-2,4-dione
bigg.metabolite:thym biggM:thym sabiork.compound:60 sabiorkM:60 RWQNBRDOKXIBIV-UHFFFAOYSA-N	Thymine
hmdb:HMDB0000262 RWQNBRDOKXIBIV-UHFFFAOYSA-N	Thymine 2,4-Dihydroxy-5-methylpyrimidine 4-Hydroxy-5-methylpyrimidin-2(1H)-one 5 Methyluracil 5-Methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione 5-Methyl-2,4(1H,3H)-pyrimidinedione 5-Methyl-2,4-dihydroxypyrimidine 5-Methylpyrimidine-2,4(1H,3H)-dione 5-Methylpyrimidine-2,4-dione 5-Methyluracil 5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione T Thy Thymin thymine
kegg.compound:C00178 keggC:C00178 RWQNBRDOKXIBIV-UHFFFAOYSA-N	Thymine 5-Methyluracil
vmhM:thym vmhmetabolite:thym RWQNBRDOKXIBIV-UHFFFAOYSA-N	Thymine 5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
metacyc.compound:THYMINE metacycM:THYMINE RWQNBRDOKXIBIV-UHFFFAOYSA-N	thymine 5-methyl-2,4(1H,3H)-pyrimidinedione 5-methyluracil T
hmdb:HMDB00262 chebi:15247 chebi:27004 chebi:46017 chebi:9580 biggM:M_thym keggC:M_C00178 vmhM:M_thym	secondary/obsolete/fantasy identifier