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

Feedback

quinaldate

	Properties	Image
MNX_ID	MNXM4797
reference	chebi:19775
formula	C₁₀H₆NO₂
global charge	-1
mol weight	172.163
InChIKey	LOAUVZALPPNFOQ-UHFFFAOYSA-M
InChI	InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)/p-1
SMILES	O=C([O-])C1=NC2=C(C=CC=C2)C=C1

MNX internals

InChI (mnx)	InChI=1/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:8]2[C:7](=[CH:3]1)[CH:5]=[CH:6][C:9]([C:10]([OH:12])=[O:13])=[N:11]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:19775 chebi:19775 LOAUVZALPPNFOQ-UHFFFAOYSA-M	quinaldate quinaldate anion quinaldate(1-) quinoline-2-carboxylate
kegg.compound:C06325 keggC:C06325 LOAUVZALPPNFOQ-UHFFFAOYSA-N	2-Quinolinecarboxylic acid 2-Quinolinecarboxylate Quinaldate Quinaldic acid Quinaldinic acid
seed.compound:cpd03766 seedM:cpd03766 LOAUVZALPPNFOQ-UHFFFAOYSA-M	Quinaldate 2-Quinolinecarboxylate 2-Quinolinecarboxylic acid Quinaldic acid Quinaldinic acid quinaldate quinoline-2-carboxylate quinoline-2-carboxylic acid
hmdb:HMDB0000842 LOAUVZALPPNFOQ-UHFFFAOYSA-N	Quinaldic acid 2-Carboxyquinoline 2-Chinolincarbonsaeure 2-Quinolinecarboxylate 2-Quinolinecarboxylic acid 2-Quinolinylcarboxylate 2-Quinolinylcarboxylic acid Chinaldinsaeure Quinaldate Quinaldinate Quinaldinic acid Quinolin-2-carboxylate Quinolin-2-carboxylic acid Quinoline-2-carboxylate Quinoline-2-carboxylic acid quinaldic acid quinoline-2-carboxylic acid
metacyc.compound:QUINALDATE metacycM:QUINALDATE LOAUVZALPPNFOQ-UHFFFAOYSA-M	quinaldate quinoline-2-carboxylate quinoline-2-carboxylic acid
CHEBI:18386 chebi:18386 LOAUVZALPPNFOQ-UHFFFAOYSA-N	quinaldic acid 2-Chinolincarbonsaeure 2-Quinolinecarboxylate 2-Quinolinecarboxylic acid 2-carboxyquinoline Chinaldinsaeure QUINALDIC ACID Quinaldate Quinaldic acid Quinaldinic acid quinoline-2-carboxylic acid
hmdb:HMDB00842 chebi:1276 chebi:14999 chebi:19776 chebi:241750 chebi:26488 chebi:45416 keggC:M_C06325 seedM:M_cpd03766	secondary/obsolete/fantasy identifier