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

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gamma-Hydroxy-3-pyridinebutanoate

	Properties	Image
MNX_ID	MNXM6881
reference	chebi:82573
formula	C₉H₁₁NO₃
global charge	0
mol weight	181.191
InChIKey	STZOZPPVGWNSMC-UHFFFAOYSA-N
InChI	InChI=1S/C9H11NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13)
SMILES	O=C(O)CCC(O)C1=CN=CC=C1

MNX internals

InChI (mnx)	InChI=1/C9H11NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13)/t8?
SMILES (mnx)	[CH:1]1=[CH:2][C:7]([CH:8]([CH2:3][CH2:4][C:9](=[O:12])[OH:13])[OH:11])=[CH:6][N:10]=[CH:5]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:82573 chebi:82573 kegg.compound:C19579 keggC:C19579 STZOZPPVGWNSMC-UHFFFAOYSA-N	gamma-Hydroxy-3-pyridinebutanoate
hmdb:HMDB0001119 STZOZPPVGWNSMC-UHFFFAOYSA-N	4-Hydroxy-4-(3-pyridyl)-butanoic acid 4-(3-Pyridyl)-4-hydroxybutyrate 4-(3-Pyridyl)-4-hydroxybutyric acid 4-HOPC4a 4-Hydroxy-4-(3-pyridyl)-butanoate 4-Hydroxy-4-(3-pyridyl)butanoic acid 4-Hydroxy-4-(3-pyridyl)butyric acid 4-hydroxy-4-(pyridin-3-yl)butanoic acid g-Hydroxy-3-pyridinebutanoate g-Hydroxy-3-pyridinebutanoic acid gamma-(3-Pyridyl)-gamma-hydroxybutyrate gamma-(3-Pyridyl)-gamma-hydroxybutyric acid gamma-Hydroxy-3-pyridinebutanoic acid gamma-hydroxy-3-pyridinebutanoate gamma-hydroxy-3-pyridinebutanoic acid
vmhM:M01929 vmhmetabolite:M01929 STZOZPPVGWNSMC-UHFFFAOYSA-M	4-Hydroxy-4-(3-pyridyl)-butanoic acid 4-hydroxy-4-(pyridin-3-yl)butanoic acid
metacyc.compound:CPD-3193 metacycM:CPD-3193 STZOZPPVGWNSMC-UHFFFAOYSA-M	4-hydroxy-4-(3-pyridyl)-butanoate 4-(3-pyridyl)-4-hydroxybutyric acid 4-hydroxy-4-(3-pyridyl)-butanoic acid gamma-(3-pyridyl)-gamma-hydroxybutyric acid
seed.compound:cpd20833 seedM:cpd20833 STZOZPPVGWNSMC-UHFFFAOYSA-M	gamma-Hydroxy-3-pyridinebutanoate 4-(3-pyridyl)-4-hydroxybutyric acid 4-hydroxy-4-(3-pyridyl)-butanoate 4-hydroxy-4-(3-pyridyl)-butanoic acid gamma-(3-pyridyl)-gamma-hydroxybutyric acid
hmdb:HMDB01119 keggC:M_C19579 seedM:M_cpd20833 vmhM:M_M01929	secondary/obsolete/fantasy identifier