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

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3-pyridylacetic acid

	Properties	Image
MNX_ID	MNXM14636
reference	chebi:86390
formula	C₇H₇NO₂
global charge	0
mol weight	137.138
InChIKey	WGNUNYPERJMVRM-UHFFFAOYSA-N
InChI	InChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10)
SMILES	O=C(O)CC1=CC=CN=C1

MNX internals

InChI (mnx)	InChI=1/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10)
SMILES (mnx)	[CH:1]1=[CH:2][C:6]([CH2:4][C:7](=[O:9])[OH:10])=[CH:5][N:8]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:86390 chebi:86390 WGNUNYPERJMVRM-UHFFFAOYSA-N	3-pyridylacetic acid (pyridin-3-yl)acetic acid
seed.compound:cpd22052 seedM:cpd22052 WGNUNYPERJMVRM-UHFFFAOYSA-M	2-(3-pyridyl)acetic acid 3-pyridineacetic acid 3-pyridylacetate 3-pyridylacetic acid coletin lessterol lioxone minedil piridil pyridine-3-acetic acid toneon
hmdb:HMDB0001538 WGNUNYPERJMVRM-UHFFFAOYSA-N	3-Pyridylacetic acid 2-(3-Pyridine)acetic acid 2-(3-Pyridyl)acetate 2-(3-Pyridyl)acetic acid 2-(Pyridin-3-yl)acetate 2-(Pyridin-3-yl)acetic acid 2-(pyridin-3-yl)acetic acid 3-Carboxymethylpyridine 3-Pyridineacetic acid 3-Pyridylacetate 3-pyridylacetic acid Coletin Lessterol Lioxone Minedil Piridil Piristerol Pyridin-3-ylacetate Pyridin-3-ylacetic acid Toneon a-(3-Pyridyl)acetate a-(3-Pyridyl)acetic acid alpha-(3-Pyridyl)acetate alpha-(3-Pyridyl)acetic acid
metacyc.compound:3-PYRIDYLACETIC-ACID metacycM:3-PYRIDYLACETIC-ACID WGNUNYPERJMVRM-UHFFFAOYSA-M	3-pyridylacetate 2-(3-pyridyl)acetic acid 3-pyridineacetic acid 3-pyridylacetic acid coletin lessterol lioxone minedil piridil pyridine-3-acetic acid toneon
hmdb:HMDB01538 seedM:M_cpd22052	secondary/obsolete/fantasy identifier