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

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3-(pyrazol-1-yl)-L-alanine

	Properties	Image
MNX_ID	MNXM2327
reference	chebi:57747
formula	C₆H₉N₃O₂
global charge	0
mol weight	155.157
InChIKey	PIGOPELHGLPKLL-YFKPBYRVSA-N
InChI	InChI=1S/C6H9N3O2/c7-5(6(10)11)4-9-3-1-2-8-9/h1-3,5H,4,7H2,(H,10,11)/t5-/m0/s1
SMILES	[NH3+][C@@H](CN1C=CC=N1)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C6H9N3O2/c7-5(6(10)11)4-9-3-1-2-8-9/h1-3,5H,4,7H2,(H,10,11)/t5-/m0/s1
SMILES (mnx)	[CH:1]1=[CH:3][N:9]([CH2:4][C@@H:5]([C:6](=[O:10])[OH:11])[NH2:7])[N:8]=[CH:2]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57747 chebi:57747 PIGOPELHGLPKLL-YFKPBYRVSA-N	3-(pyrazol-1-yl)-L-alanine (2S)-2-ammonio-3-(1H-pyrazol-1-yl)propanoate (2S)-2-azaniumyl-3-(1H-pyrazol-1-yl)propanoate 3-(pyrazol-1-yl)-L-alanine zwitterion
kegg.compound:C01162 keggC:C01162 PIGOPELHGLPKLL-YFKPBYRVSA-N	3-(Pyrazol-1-yl)-L-alanine beta-Pyrazol-1-ylalanine
CHEBI:16357 chebi:16357 PIGOPELHGLPKLL-YFKPBYRVSA-N	3-(pyrazol-1-yl)-L-alanine 3-(1H-pyrazol-1-yl)-L-alanine 3-(Pyrazol-1-yl)-L-alanine beta-Pyrazol-1-ylalanine beta-pyrazol-1-ylalanine
metacyc.compound:CPD-670 metacycM:CPD-670 PIGOPELHGLPKLL-YFKPBYRVSA-N	3-(pyrazol-1-yl)-L-alanine beta-(pyrazol-1-yl)-L-alanine
vmhM:bpyrzl1ylala vmhmetabolite:bpyrzl1ylala PIGOPELHGLPKLL-YFKPBYRVSA-N	beta-Pyrazol-1-ylalanine
seed.compound:cpd00855 seedM:cpd00855 PIGOPELHGLPKLL-YFKPBYRVSA-N	beta-Pyrazol-1-ylalanine 3-(Pyrazol-1-yl)-L-alanine 3-(pyrazol-1-yl)-L-alanine beta-(pyrazol-1-yl)-L-alanine
chebi:11739 chebi:1440 chebi:19942 keggC:M_C01162 seedM:M_cpd00855 vmhM:M_bpyrzl1ylala	secondary/obsolete/fantasy identifier