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

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(S)-carnitine

	Properties	Image
MNX_ID	MNXM1105736
reference	chebi:11060
formula	C₇H₁₅NO₃
global charge	0
mol weight	161.201
InChIKey	PHIQHXFUZVPYII-LURJTMIESA-N
InChI	InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m0/s1
SMILES	C[N+](C)(C)C[C@@H](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-/m0/s1
SMILES (mnx)	[CH3:1][N+:8]([CH3:2])([CH3:3])[CH2:5][C@H: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)	189
in models (compartimentalized)	306

Similar chemical compounds in external resources
Identifier	Description
CHEBI:11060 chebi:11060 PHIQHXFUZVPYII-LURJTMIESA-N	(S)-carnitine (+)-Carnitine (3S)-3-hydroxy-4-(trimethylammonio)butanoate (S)-Carnitine Carnitine D-form D-(3-Carboxy-2-hydroxypropyl)trimethylammonium hydroxide, inner salt D-Carnitine d-Carnitine
kegg.compound:C15025 keggC:C15025 PHIQHXFUZVPYII-LURJTMIESA-N	(S)-Carnitine D-Carnitine
CHEBI:51453 chebi:51453 PHIQHXFUZVPYII-LURJTMIESA-O	(S)-carnitinium (2S)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium
hmdb:HMDB0062634 PHIQHXFUZVPYII-LURJTMIESA-O	(S)-carnitinium [(2S)-3-carboxy-2-hydroxypropyl]trimethylazanium
vmhM:crn_D vmhmetabolite:crn_D PHIQHXFUZVPYII-LURJTMIESA-N	D-Carnitine
seed.compound:cpd10719 seedM:cpd10719 PHIQHXFUZVPYII-LURJTMIESA-N	D-Carnitine (S)-Carnitine D-carnitine S-(+)-3-hydroxy-4-trimethylaminobutyrate carnitine (D-form) crn-D
metacyc.compound:D-CARNITINE metacycM:D-CARNITINE PHIQHXFUZVPYII-LURJTMIESA-N	D-carnitine (S)-carnitine S-(+)-3-hydroxy-4-trimethylaminobutyrate
vmhM:crn vmhmetabolite:crn PHIQHXFUZVPYII-LURJTMIESA-N	L-Carnitine (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate
hmdb:HMDB62634 keggC:M_C15025 seedM:M_cpd10719 vmhM:M_crn vmhM:M_crn_D	secondary/obsolete/fantasy identifier