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

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choline

	Properties	Image
MNX_ID	MNXM90
reference	chebi:15354
formula	C₅H₁₄NO
global charge	1
mol weight	104.173
InChIKey	OEYIOHPDSNJKLS-UHFFFAOYSA-N
InChI	InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
SMILES	C[N+](C)(C)CCO

MNX internals

InChI (mnx)	InChI=1/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
SMILES (mnx)	[CH3:1][N+:6]([CH3:2])([CH3:3])[CH2:4][CH2:5][OH:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	228
in models (compartimentalized)	81

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-264618 reactomeM:R-ALL-264618 reactome:R-ALL-264638 reactomeM:R-ALL-264638 reactome:R-ALL-6798162 reactomeM:R-ALL-6798162 CHEBI:15354 chebi:15354 OEYIOHPDSNJKLS-UHFFFAOYSA-N	choline 2-hydroxy-N,N,N-trimethylethanaminium Bilineurine CHOLINE ION Choline N,N,N-trimethylethanol-ammonium N-trimethylethanolamine trimethylethanolamine
CHEBI:72322 chebi:72322 OEYIOHPDSNJKLS-UHFFFAOYSA-N	(11)C-choline (11)C-Choline Choline C-11 Choline C11 [N-methyl-(11)C]choline
bigg.metabolite:chol biggM:chol OEYIOHPDSNJKLS-UHFFFAOYSA-N	Choline
kegg.drug:D07690 keggD:D07690 OEYIOHPDSNJKLS-UHFFFAOYSA-N	Choline (DCF) Choline cation Choline ion
kegg.drug:D10498 keggD:D10498 OEYIOHPDSNJKLS-UHFFFAOYSA-N	Choline C-11 Choline C-11 (TN)
hmdb:HMDB0000097 OEYIOHPDSNJKLS-UHFFFAOYSA-N	Choline (2-Hydroxyethyl)trimethyl ammonium (2-Hydroxyethyl)trimethylammonium (2-hydroxyethyl)trimethylazanium (beta-Hydroxyethyl)trimethylammonium 2-Hydroxy-N,N,N-trimethyl-ethanaminium 2-Hydroxy-N,N,N-trimethylethanaminium Bilineurine Biocolina Biocoline Bitartrate, choline Bursine CHOLINE ion Chloride, choline Choline O sulfate Choline O-sulfate Choline bitartrate Choline cation Choline chloride Choline citrate Choline hydroxide Cholinum Citrate, choline Fagine Hepacholine Hormocline Hydroxide, choline Lipotril N,N,N-Trimethylethanol-ammonium N,N,N-Trimethylethanolammonium N-Trimethylethanolamine Neocolina O-Sulfate, choline Paresan Trimethylethanolamine Vidine choline
seed.compound:cpd00098 seedM:cpd00098 OEYIOHPDSNJKLS-UHFFFAOYSA-N	Choline (2-hydroxyethyl)trimethylammonium Bilineurine chol choline
vmhM:chol vmhmetabolite:chol OEYIOHPDSNJKLS-UHFFFAOYSA-N	Choline (2-hydroxyethyl)trimethylazanium
sabiork.compound:1935 sabiorkM:1935 kegg.compound:C00114 keggC:C00114 OEYIOHPDSNJKLS-UHFFFAOYSA-N	Choline Bilineurine
metacyc.compound:CHOLINE metacycM:CHOLINE OEYIOHPDSNJKLS-UHFFFAOYSA-N	choline (2-hydroxyethyl)trimethylammonium
hmdb:HMDB00097 chebi:13985 chebi:23212 chebi:3665 chebi:41524 biggM:M_chol keggC:M_C00114 keggD:M_D07690 keggD:M_D10498 seedM:M_cpd00098 vmhM:M_chol	secondary/obsolete/fantasy identifier