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

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4-fluorophenylalanine

	Properties	Image
MNX_ID	MNXM51407
reference	chebi:84060
formula	C₉H₁₀FNO₂
global charge	0
mol weight	183.182
InChIKey	XWHHYOYVRVGJJY-UHFFFAOYSA-N
InChI	InChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
SMILES	NC(CC1=CC=C(F)C=C1)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8?
SMILES (mnx)	[CH:1]1=[CH:3][C:7]([F:10])=[CH:4][CH:2]=[C:6]1[CH2:5][CH:8]([C:9](=[O:12])[OH:13])[NH2:11]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84060 chebi:84060 XWHHYOYVRVGJJY-UHFFFAOYSA-N	4-fluorophenylalanine DL-Fluorophenylalanine DL-p-Fluorophenylalanine p-Fluorophenylalanine p-fluoro-DL-phenylalanine
hmdb:HMDB0246423 XWHHYOYVRVGJJY-UHFFFAOYSA-N	4-Fluoro-L-phenylalanine 2-amino-3-(4-fluorophenyl)propanoic acid 4 Fluorophenylalanine 4-Fluorophenylalanine DL-Fluorophenylalanine DL-P-fluorophenylalanine DL-p-Fluorophenylalanine Fluorophenylalanine, p Para fluorophenylalanine Para-fluorophenylalanine p Fluorophenylalanine p-Fluoro-DL-phenylalanine p-Fluorophenylalanine
metacyc.compound:CPD0-1900 metacycM:CPD0-1900 XWHHYOYVRVGJJY-UHFFFAOYSA-N	DL-p-phenylalanine p-Fluorophenylalanine
kegg.compound:C11217 keggC:C11217 XWHHYOYVRVGJJY-UHFFFAOYSA-N	p-Fluorophenylalanine
seed.compound:cpd08084 seedM:cpd08084 XWHHYOYVRVGJJY-UHFFFAOYSA-N	p-Fluorophenylalanine DL-p-phenylalanine
chebi:88165 keggC:M_C11217 seedM:M_cpd08084	secondary/obsolete/fantasy identifier