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

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carnitine

	Properties	Image
MNX_ID	MNXM731667
reference	chebi:17126
formula	C₇H₁₅NO₃
global charge	0
mol weight	161.201
InChIKey	PHIQHXFUZVPYII-UHFFFAOYSA-N
InChI	InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3
SMILES	C[N+](C)(C)CC(O)CC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6?
SMILES (mnx)	[CH3:1][N+:8]([CH3:2])([CH3:3])[CH2:5][CH:6]([CH2:4][C:7](=[O:10])[O-:11])[OH:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-164988 reactomeM:R-ALL-164988 reactome:R-ALL-201023 reactomeM:R-ALL-201023 reactome:R-ALL-30235 reactomeM:R-ALL-30235 reactome:R-ALL-390294 reactomeM:R-ALL-390294 reactome:R-ALL-549207 reactomeM:R-ALL-549207 CHEBI:17126 chebi:17126 PHIQHXFUZVPYII-UHFFFAOYSA-N	carnitine 3-hydroxy-4-(trimethylammonio)butanoate D,L-carnitine
seed.compound:cpd19003 seedM:cpd19003 sabiork.compound:3872 sabiorkM:3872 kegg.compound:C00487 keggC:C00487 PHIQHXFUZVPYII-UHFFFAOYSA-N PHIQHXFUZVPYII-UHFFFAOYSA-O	Carnitine 3-Hydroxy-4-trimethylammoniobutanoate gamma-Trimethyl-hydroxybutyrobetaine
seed.compound:cpd26883 seedM:cpd26883 PHIQHXFUZVPYII-UHFFFAOYSA-N	DL-CARNITINE
metacyc.compound:DL-CARNITINE metacycM:DL-CARNITINE PHIQHXFUZVPYII-UHFFFAOYSA-N	carnitine D,L-carnitine
CHEBI:3424 chebi:3424 PHIQHXFUZVPYII-UHFFFAOYSA-O	carnitinium 3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium 3-hydroxy-4-(trimethylammonio)butanoic acid Carnitine
chebi:11817 chebi:13947 chebi:20047 chebi:23038 keggC:M_C00487 seedM:M_cpd19003 seedM:M_cpd26883	secondary/obsolete/fantasy identifier