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

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picolinal

	Properties	Image
MNX_ID	MNXM35437
reference	chebi:73012
formula	C₆H₅NO
global charge	0
mol weight	107.112
InChIKey	CSDSSGBPEUDDEE-UHFFFAOYSA-N
InChI	InChI=1S/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H
SMILES	O=CC1=CC=CC=N1

MNX internals

InChI (mnx)	InChI=1/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[N:7][C:6]([CH:5]=[O:8])=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:73012 chebi:73012 CSDSSGBPEUDDEE-UHFFFAOYSA-N	picolinal 2-Picolinaldehyde 2-Picolinealdehyde 2-Pyridaldehyde 2-Pyridinecarbaldehyde 2-Pyridinecarboxaldehyde 2-Pyridylaldehyde 2-Pyridylcarboxaldehyde 2-formylpyridine 2-pyridylformaldehyde Picolinal Picolinaldehyde Picolinic aldehyde Pyridine-2-aldehyde Pyridine-2-carboxaldehyde alpha-picolinaldehyde o-Nicotinaldehyde pyridine-2-carbaldehyde
seed.compound:cpd26370 seedM:cpd26370 CSDSSGBPEUDDEE-UHFFFAOYSA-N	2-Pyridaldehyde 2-formylpyridine 2-picolinaldehyde 2-pyridaldehyde 2-pyridinecarboxaldehyde Picolinal Picolinaldehyde Picolinic aldehyde o-Nicotinaldehyde picolinal picolinaldehyde picolinic aldehyde pyridine-2-aldehyde
hmdb:HMDB0245308 CSDSSGBPEUDDEE-UHFFFAOYSA-N	2-Pyridinecarboxaldehyde 2-Picolinaldehyde 2-Picolinealdehyde 2-Pyridaldehyde 2-Pyridinecarbaldehyde 2-Pyridylaldehyde 2-Pyridylcarboxaldehyde 2-Pyridylformaldehyde 2-formylpyridine O-Nicotinaldehyde Picolinal Picolinaldehyde Picolinic aldehyde Pyridine-2-aldehyde Pyridine-2-carboxaldehyde a-Picolinaldehyde alpha-Picolinaldehyde alpha-picolinaldehyde pyridine-2-carbaldehyde
metacyc.compound:CPD-19751 metacycM:CPD-19751 CSDSSGBPEUDDEE-UHFFFAOYSA-N	2-formylpyridine 2-picolinaldehyde 2-pyridaldehyde 2-pyridinecarboxaldehyde picolinal picolinaldehyde picolinic aldehyde pyridine-2-aldehyde
sabiork.compound:21310 sabiorkM:21310 CSDSSGBPEUDDEE-UHFFFAOYSA-N	Pyridine-2-aldehyde
seedM:M_cpd26370	secondary/obsolete/fantasy identifier