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

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5-FU

	Properties	Image
MNX_ID	MNXM1368742
reference	seedM:cpd04810
formula	C₄H₃FN₂O₂
global charge	0
mol weight	130.078
InChIKey	XXJVAECJPJFQAQ-UHFFFAOYSA-N
InChI	InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1-2H,(H,7,8,9)
SMILES	O=C1N=CC(F)C(=O)N1

MNX internals

InChI (mnx)	InChI=1/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1-2H,(H,7,8,9)/t2?
SMILES (mnx)	[CH:1]1=[N:6][C:4](=[O:9])[N:7]=[C:3]([OH:8])[CH:2]1[F:5]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd04810 seedM:cpd04810 XXJVAECJPJFQAQ-UHFFFAOYSA-N	5-FU 5-Fluorouracil 5-fluorouracil Fluorouracil
seedM:M_cpd04810	secondary/obsolete/fantasy identifier