Molecule

(+)-carnitine

AlkaPlorer ID: AK319581

Synonym: None

IUPAC Name: (3S)-3-hydroxy-4-(trimethylazaniumyl)butanoate

Structure

SMILES: C[N+](C)(C)C[C@@H](O)CC(=O)[O-]

InChI: InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m0/s1

InChIKey: PHIQHXFUZVPYII-LURJTMIESA-N

Reference

Brain metabolomic profiling of eastern honey bee (Apis cerana) infested with the mite Varroa destructor

PubChem CID: 2724480

CAS: 541-14-0

LOTUS: LTS0106585

SuperNatural Ⅲ: SN0285425-01

NPASS: NPC329259

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Taraxacum platycarpum	Taraxacum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Taraxacum coreanum	Taraxacum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Taraxacum officinale	Taraxacum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Taraxacum mongolicum	Taraxacum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 161.20099999999996

TPSA？: 60.36

MolLogP？: -1.8064999999999984

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bos taurus	Serum albumin	K	2.15	10'4L/mol	10.1016/j.ejmech.2007.11.006
Bos taurus	Serum albumin	K	3.18	10'4L/mol	10.1016/j.ejmech.2007.11.006
Homo sapiens	Solute carrier family 22 member 16	Ki	30000.0	nM	10.1074/jbc.m203883200
Homo sapiens	Solute carrier family 22 member 4	Activity	53.9	%	None

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT002226	CC(=O)CC(=O)[C@@](O)(CC(=O)O)C[N+](C)(C)C>>C[N+](C)(C)C[C@@H](O)CC(=O)O	enzymemap_28766
AKRT002230	CC(=O)CC(=O)[CoA].C[N+](C)(C)C[C@@H](O)CC(=O)O>>CC(=O)CC(=O)[C@@](O)(CC(=O)O)C[N+](C)(C)C	enzymemap_28766
AKRT004466	CC(=O)[C@@](O)(CC(=O)O)C[N+](C)(C)C>>CC(=O)O.C[N+](C)(C)C[C@@H](O)CC(=O)O	None
AKRT004467	CC(=O)[C@@](O)(CC(=O)O)C[N+](C)(C)C>>C[N+](C)(C)C[C@@H](O)CC(=O)O	enzymemap_28757
AKRT004587	CC(=O)[CoA].C[N+](C)(C)C[C@@H](O)CC(=O)O>>CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C	MNXR173294
AKRT004588	CC(=O)[CoA].C[N+](C)(C)C[C@@H](O)CC(=O)O>>CC(=O)[C@@](O)(CC(=O)O)C[N+](C)(C)C	enzymemap_28757
AKRT004812	CC(C)(C)C(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C>>C[N+](C)(C)C[C@@H](O)CC(=O)O	enzymemap_28776
AKRT004815	CC(C)(C)C(=O)[C@@](O)(CC(=O)O)C[N+](C)(C)C>>C[N+](C)(C)C[C@@H](O)CC(=O)O	enzymemap_28776
AKRT004816	CC(C)(C)C(=O)[CoA].C[N+](C)(C)C[C@@H](O)CC(=O)O>>CC(C)(C)C(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C	enzymemap_28776
AKRT004817	CC(C)(C)C(=O)[CoA].C[N+](C)(C)C[C@@H](O)CC(=O)O>>CC(C)(C)C(=O)[C@@](O)(CC(=O)O)C[N+](C)(C)C	enzymemap_28776
AKRT005490	CC(C)CCCC(C)CCC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C>>C[N+](C)(C)C[C@@H](O)CC(=O)O	enzymemap_28764
AKRT005494	CC(C)CCCC(C)CCC(=O)[CoA].C[N+](C)(C)C[C@@H](O)CC(=O)O>>CC(C)CCCC(C)CCC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C	enzymemap_28764
AKRT006441	CC(CC(=O)O)CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C>>C[N+](C)(C)C[C@@H](O)CC(=O)O	enzymemap_28778
AKRT006444	CC(CC(=O)O)CC(=O)[CoA].C[N+](C)(C)C[C@@H](O)CC(=O)O>>CC(CC(=O)O)CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C	enzymemap_28778
AKRT007150	CCC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C>>C[N+](C)(C)C[C@@H](O)CC(=O)O	enzymemap_28789
AKRT007173	CCC(=O)[CoA].C[N+](C)(C)C[C@@H](O)CC(=O)O>>CCC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C	enzymemap_28789
AKRT007423	CCCC(=O)[C@@](O)(CC(=O)O)C[N+](C)(C)C>>CCCC(=O)O.C[N+](C)(C)C[C@@H](O)CC(=O)O	None
AKRT007424	CCCC(=O)[C@@](O)(CC(=O)O)C[N+](C)(C)C>>C[N+](C)(C)C[C@@H](O)CC(=O)O	enzymemap_52298
AKRT009025	CCCCCCCCCCCCCCCC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C>>C[N+](C)(C)C[C@@H](O)CC(=O)O	enzymemap_28762
AKRT009061	CCCCCCCCCCCCCCCC(=O)[CoA].C[N+](C)(C)C[C@@H](O)CC(=O)O>>CCCCCCCCCCCCCCCC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C	enzymemap_28762
AKRT010360	CN(C)C.O=C[C@H](O)CC(=O)O>>C[N+](C)(C)C[C@@H](O)CC(=O)O	MNXR182247
AKRT014266	C[N+](C)(C)CC(=O)CC(=O)O>>C[N+](C)(C)C[C@@H](O)CC(=O)O	enzymemap_3465
AKRT014383	C[N+](C)(C)C[C@@H](O)CC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>C[N+](C)(C)C[C@@H](O)CC(=O)[32S].Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT014384	C[N+](C)(C)C[C@@H](O)CC(=O)O>>CC(O)C[N+](C)(C)C	MNXR173296
AKRT014385	C[N+](C)(C)C[C@@H](O)CC(=O)O>>CN(C)C	enzymemap_12093
AKRT014386	C[N+](C)(C)C[C@@H](O)CC(=O)O>>C[N+](C)(C)CC(=O)CC(=O)O	1.1.1.254-RXN
AKRT014387	C[N+](C)(C)C[C@@H](O)CC(=O)O>>C[N+](C)(C)CC(O)CC(=O)O	MNXR179310
AKRT014388	C[N+](C)(C)C[C@@H](O)CC(=O)O>>C[N+](C)(C)CC(O)[C@H](O)C(=O)O	enzymemap_10534
AKRT014389	C[N+](C)(C)C[C@@H](O)CC(=O)O>>C[N+](C)(C)CCCC(=O)O	MNXR173295
AKRT014390	C[N+](C)(C)C[C@@H](O)CC(=O)O>>C[N+](C)(C)C[C@H](O)CC(=O)O	CARNRACE-RXN
AKRT014391	C[N+](C)(C)C[C@@H](O)CC(=O)O>>O=C=O	MNXR173296
AKRT014392	C[N+](C)(C)C[C@@H](O)CC(=O)O>>O=C[C@@H](O)CC(=O)O	enzymemap_12093
AKRT014393	C[N+](C)(C)C[C@@H](O)CC(=O)[CoA]>>C[N+](C)(C)C[C@@H](O)CC(=O)O	DCARNCOALIG-RXN
AKRT014394	C[N+](C)(C)C[C@H](CC(=O)O)OC(=O)CC(=O)O>>C[N+](C)(C)C[C@@H](O)CC(=O)O	enzymemap_31673
AKRT014417	C[N+](C)(C)C[C@](O)(CC(=O)O)C(=O)CC(=O)O>>C[N+](C)(C)C[C@@H](O)CC(=O)O	enzymemap_28772
AKRT022702	O=C(O)CC(=O)[CoA].C[N+](C)(C)C[C@@H](O)CC(=O)O>>C[N+](C)(C)C[C@H](CC(=O)O)OC(=O)CC(=O)O	enzymemap_31673
AKRT022703	O=C(O)CC(=O)[CoA].C[N+](C)(C)C[C@@H](O)CC(=O)O>>C[N+](C)(C)C[C@](O)(CC(=O)O)C(=O)CC(=O)O	enzymemap_28772
AKRT024934	[CoA].C[N+](C)(C)C[C@@H](O)CC(=O)O>>C[N+](C)(C)C[C@@H](O)CC(=O)[CoA]	enzymemap_89949