Molecule

Choline; Iodide

AlkaPlorer ID: AK030695

Synonym: None

IUPAC Name: 2-hydroxyethyl(trimethyl)azanium

Structure

SMILES: C[N+](C)(C)CCO

InChI: InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1

InChIKey: OEYIOHPDSNJKLS-UHFFFAOYSA-N

Reference

Alkaloids from callus tissue of Papaver somniferum

Choline Synthesis in Spinach in Relation to Salt Stress

PubChem CID: 305

CAS: 123-41-1

LOTUS: LTS0170307

SuperNatural Ⅲ: SN0263612

NPASS: NPC136014

COCONUT: CNP0161849

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Papaver somniferum	Papaver	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Corydalis humosa	Corydalis	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 104.173

TPSA？: 20.23

MolLogP？: -0.3150999999999999

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Enterococcus faecalis	Enterococcus faecalis	MIC	2000.0	ug.mL-1	10.1021/jm030829z
Enterococcus faecalis	Enterococcus faecalis	MLC	2000.0	ug ml-1	10.1021/jm030829z
Escherichia coli	Escherichia coli	MIC	2000.0	ug.mL-1	10.1021/jm030829z
Escherichia coli	Escherichia coli	MLC	2000.0	ug ml-1	10.1021/jm030829z
Homo sapiens	Acetylcholinesterase	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Acetylcholinesterase	IC50	3013006.02	nM	10.1021/jm970488n
Homo sapiens	Adenosine A3 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alpha-1a adrenergic receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alpha-2a adrenergic receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Androgen Receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Bile salt export pump	AC50	300000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Cyclooxygenase-1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Cytochrome P450 1A2	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C19	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C9	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2D6	AC50	nan	None	None
Homo sapiens	Cytochrome P450 3A4	AC50	nan	None	None
Homo sapiens	Dopamine D1 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine D3 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine transporter	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Estrogen receptor alpha	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Histamine H3 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Potency	1258.9	nM	None
Homo sapiens	Monoamine oxidase A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Mu opioid receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M2	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Neuronal acetylcholine receptor protein alpha-7 subunit	Activity	nan	None	10.1016/j.ejmech.2019.06.049
Homo sapiens	Norepinephrine transporter	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Phosphodiesterase 3A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Phosphodiesterase 4A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Progesterone receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 1a (5-HT1a) receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 2b (5-HT2b) receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin transporter	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Solute carrier family 22 member 1	Activity	3540.0	uM	10.1124/mol.63.3.489
Homo sapiens	Solute carrier family 22 member 1	Activity	nan	None	10.1124/mol.51.6.913
Homo sapiens	Solute carrier family 22 member 1	Activity	nan	None	None
Homo sapiens	Solute carrier family 22 member 1	Inhibition	21.3	%	10.1021/jm8003152
Homo sapiens	Solute carrier family 22 member 2	Activity	nan	None	10.1074/jbc.m108472200
Homo sapiens	Solute carrier family 22 member 2	Activity	nan	None	10.1097/01.asn.0000019413.78751.46
Homo sapiens	Solute carrier family 22 member 2	Km	102000.0	nM	10.1074/jbc.m108472200
Homo sapiens	Solute carrier family 22 member 2	Km	190000.0	nM	10.1089/dna.1997.16.871
Homo sapiens	Solute carrier family 22 member 2	Km	210000.0	nM	10.1089/dna.1997.16.871
Homo sapiens	Solute carrier family 22 member 4	Activity	73.2	%	None
Homo sapiens	Solute carrier family 22 member 5	Activity	75.0	%	10.1006/bbrc.1998.8669
Homo sapiens	Solute carrier family 22 member 5	Activity	82.0	%	None
Homo sapiens	Thrombin	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Thromboxane A2 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Mus musculus	Choline transporter	IC50	1600.0	nM	10.1021/jm00153a012
Mus musculus	Solute carrier family 22 member 1	Activity	nan	None	10.1002/hep.510290530
Mus musculus	Solute carrier family 22 member 1	Activity	nan	None	10.1128/mcb.21.16.5471-5477.2001
Mus musculus	Solute carrier family 22 member 1	IC50	55000.0	nM	10.1016/s0006-291x(02)00926-9
Mus musculus	Solute carrier family 22 member 1	Km	42000.0	nM	None
Mus musculus	Solute carrier family 22 member 2	IC50	217000.0	nM	10.1016/s0006-291x(02)00926-9
Mus musculus	Solute carrier family 22 member 5	Activity	74.6	%	10.1124/mol.59.2.358
Mus musculus	Solute carrier family 22 member 5	Activity	75.0	%	10.1074/jbc.m005340200
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	2000.0	ug.mL-1	10.1021/jm030829z
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MLC	2000.0	ug ml-1	10.1021/jm030829z
Rattus norvegicus	Choline acetylase	Acetylation	100.0	%	10.1021/jm00372a009
Rattus norvegicus	Choline acetylase	Km	290000.0	nM	10.1021/jm00372a009
Rattus norvegicus	Choline acetylase	Vmax	12.0	uM g-1	10.1021/jm00372a009
Rattus norvegicus	Creatine transporter	Ki	42000.0	nM	10.1016/j.bmcl.2004.04.020
Rattus norvegicus	GABA receptor alpha-1 subunit	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Rattus norvegicus	Muscarinic acetylcholine receptor M1	Potency	17782.8	nM	None
Rattus norvegicus	Neuronal acetylcholine receptor	Ki	42000.0	nM	10.1016/j.bmcl.2003.09.105
Rattus norvegicus	Neuronal acetylcholine receptor; alpha2/beta2	Ki	18000.0	nM	10.1016/j.bmcl.2003.09.105
Rattus norvegicus	Neuronal acetylcholine receptor; alpha3/beta2	Ki	37000.0	nM	10.1016/j.bmcl.2003.09.105
Rattus norvegicus	Neuronal acetylcholine receptor; alpha3/beta4	Ki	48000.0	nM	10.1016/j.bmcl.2003.09.105
Rattus norvegicus	Neuronal acetylcholine receptor; alpha4/beta2	Ki	37000.0	nM	10.1016/j.bmcl.2003.09.105
Rattus norvegicus	Neuronal acetylcholine receptor; alpha4/beta4	Ki	34000.0	nM	10.1016/j.bmcl.2003.09.105
Rattus norvegicus	Neuronal acetylcholine receptor protein alpha-7 subunit	Rmax	90.0	%	10.1021/jm040219e
Rattus norvegicus	Neuronal acetylcholine receptor protein alpha-7 subunit	Rmax	100.0	%	10.1021/jm040219e
Rattus norvegicus	Solute carrier family 22 member 1	Activity	nan	None	10.1074/jbc.272.26.16548
Rattus norvegicus	Solute carrier family 22 member 1	Activity	nan	None	10.1124/mol.56.1.1
Rattus norvegicus	Solute carrier family 22 member 1	IC50	398000.0	nM	10.1016/s0005-2736(99)00005-x
Rattus norvegicus	Solute carrier family 22 member 1	IC50	1452000.0	nM	10.1023/a:1013070128668
Rattus norvegicus	Solute carrier family 22 member 1	Km	240000.0	nM	10.1074/jbc.271.51.32599
Rattus norvegicus	Solute carrier family 22 member 1	Km	346000.0	nM	10.1074/jbc.m108472200
Rattus norvegicus	Solute carrier family 22 member 1	Km	370000.0	nM	10.1124/mol.56.6.1254
Rattus norvegicus	Solute carrier family 22 member 1	Km	1100000.0	nM	10.1074/jbc.271.51.32599
Rattus norvegicus	Solute carrier family 22 member 2	Activity	nan	None	10.1152/ajprenal.2001.281.3.f454
Rattus norvegicus	Solute carrier family 22 member 2	IC50	159000.0	nM	10.1016/s0005-2736(99)00005-x
Rattus norvegicus	Solute carrier family 22 member 2	IC50	1450000.0	nM	10.1023/a:1013070128668
Rattus norvegicus	Solute carrier family 22 member 2	Km	441000.0	nM	10.1074/jbc.m108472200
Rattus norvegicus	Solute carrier family 22 member 2	Km	604000.0	nM	10.1152/ajprenal.2001.281.3.f454
Rattus norvegicus	Solute carrier family 22 member 2	Km	2000000.0	nM	10.1074/jbc.m004645200
Rattus norvegicus	Solute carrier family 22 member 3	Activity	49.0	%	10.1074/jbc.273.26.15971
Rattus norvegicus	Solute carrier family 22 member 5	Activity	24.0	%	None
Rattus norvegicus	Solute carrier family 22 member 5	Inhibition	nan	%	None
Saccharomyces cerevisiae	Saccharomyces cerevisiae	Potency	5804.8	nM	None
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Hit score	0.1686	None	10.1101/2020.04.21.054387
Staphylococcus aureus	Staphylococcus aureus	MIC	2000.0	ug.mL-1	10.1021/jm030829z
Staphylococcus aureus	Staphylococcus aureus	MLC	2000.0	ug ml-1	10.1021/jm030829z
Trypanosoma brucei	6-phospho-1-fructokinase	Potency	169.4	nM	None
None	Unchecked	IC50	4700.0	nM	10.1021/acs.jmedchem.0c01710
None	Unchecked	Ki	21000.0	nM	10.1016/j.bmcl.2003.09.105
None	Unchecked	Ki	41000.0	nM	10.1016/j.bmcl.2008.08.099
None	Unchecked	Ki	41000.0	nM	10.1016/j.bmcl.2010.04.098
None	Unchecked	Ratio	1.0	None	10.1016/j.bmcl.2003.09.105

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT000012	*/C=C/OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	RXN-17741
AKRT000021	/C=C\OCC(COP(=O)(O)OCCN)OC()=O.C[N+](C)(C)CCO>>/C=C\OCC(COP(=O)(O)OCC[N+](C)(C)C)OC()=O	R07386
AKRT000143	C(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@@H]()O>>C[N+](C)(C)CCO	SPHINGOMYELIN-PHOSPHODIESTERASE-D-RXN
AKRT000145	*C(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCCCCC>>C[N+](C)(C)CCO	R02542
AKRT000313	C(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC()=O>>C[N+](C)(C)CCO	R01310
AKRT000319	*C(=O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	MNXR147141
AKRT000348	C(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC()=O>>C[N+](C)(C)CCO	PHOSCHOL-RXN
AKRT000351	*C(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC>>C[N+](C)(C)CCO	RXN-20531
AKRT000358	C(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)OC()=O.C[N+](C)(C)CCO>>C(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC()=O	R05794
AKRT000359	C(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)OC()=O.C[N+](C)(C)CCO>>C(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC()=O	2.7.8.24-RXN
AKRT001470	C/C=C/C(=O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	enzymemap_54163
AKRT001570	C/C=C\OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	41588
AKRT002222	CC(=O)CC(=O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	enzymemap_54161
AKRT002684	CC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@@H](C)O>>C[N+](C)(C)CCO	60652
AKRT004184	CC(=O)OCC[N+](C)(C)C>>CC(=O)O.C[N+](C)(C)CCO	None
AKRT004185	CC(=O)OCC[N+](C)(C)C>>CC(=O)[32S].C[N+](C)(C)CCO	None
AKRT004186	CC(=O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	R01026
AKRT004222	CC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	38995
AKRT004249	CC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(C)=O>>C[N+](C)(C)CCO	44868
AKRT004320	CC(=O)O[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	41712
AKRT004394	CC(=O)[32S].C[N+](C)(C)CCO>>CC(=O)OCC[N+](C)(C)C	None
AKRT004585	CC(=O)[CoA].C[N+](C)(C)CCO>>CC(=O)OCC[N+](C)(C)C	R01023
AKRT006629	CC(O)CC(=O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	enzymemap_54162
AKRT007146	CCC(=O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	enzymemap_54138
AKRT007403	CCCC(=O)OCC[N+](C)(C)C>>CCCC(=O)O.C[N+](C)(C)CCO	None
AKRT007404	CCCC(=O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	enzymemap_53519
AKRT007405	CCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC>>C[N+](C)(C)CCO	enzymemap_57604
AKRT007592	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	41139
AKRT007605	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	41392
AKRT007734	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	41135
AKRT007913	CCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC>>C[N+](C)(C)CCO	enzymemap_57591
AKRT007915	CCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>CCCCCC(=O)OC[C@@H](O)COP(=O)(O)O.C[N+](C)(C)CCO	None
AKRT007916	CCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	41400
AKRT007921	CCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC>>C[N+](C)(C)CCO	enzymemap_57592
AKRT008027	CCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC>>C[N+](C)(C)CCO	enzymemap_57605
AKRT008108	CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O.C[N+](C)(C)CCO	None
AKRT008109	CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	60612
AKRT008112	CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC>>C[N+](C)(C)CCO	41416
AKRT008208	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O.C[N+](C)(C)CCO>>CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C	MNXR131911
AKRT008226	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O.C[N+](C)(C)CCO	None
AKRT008229	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	38915
AKRT008287	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC>>C[N+](C)(C)CCO	enzymemap_57571
AKRT008345	CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C>>CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O.C[N+](C)(C)CCO	None
AKRT008348	CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	enzymemap_57450
AKRT008420	CCCCCCCC/C=C\CCCCCCCCOC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	41684
AKRT008445	CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC>>C[N+](C)(C)CCO	enzymemap_57578
AKRT008483	CCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>CCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O.C[N+](C)(C)CCO	None
AKRT008484	CCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	41131
AKRT008486	CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC>>C[N+](C)(C)CCO	41412
AKRT008580	CCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C>>CCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)O.C[N+](C)(C)CCO	None
AKRT008581	CCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	enzymemap_57526
AKRT008583	CCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	38991
AKRT008683	CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	38919
AKRT008744	CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCC>>C[N+](C)(C)CCO	60620
AKRT008745	CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC>>C[N+](C)(C)CCO	60636
AKRT008840	CCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C>>CCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)O.C[N+](C)(C)CCO	None
AKRT008841	CCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	enzymemap_57527
AKRT008848	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	enzymemap_57507
AKRT008859	CCCCCCCCCCCCCC(=O)OC[C@H](O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	38983
AKRT008974	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O.C[N+](C)(C)CCO	None
AKRT008976	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	38975
AKRT009012	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC>>C[N+](C)(C)CCO	44872
AKRT009077	CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	enzymemap_57548
AKRT009114	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C>>CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)O.C[N+](C)(C)CCO	None
AKRT009115	CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	enzymemap_57530
AKRT009122	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	38979
AKRT009181	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O.C[N+](C)(C)CCO	None
AKRT009182	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	enzymemap_57524
AKRT009198	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O.C[N+](C)(C)CCO	None
AKRT009199	CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	enzymemap_57525
AKRT009234	CCCCCCCCCCCCCCCCCCOCC(O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	enzymemap_57537
AKRT009244	CCCCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	enzymemap_57596
AKRT009248	CCCCCCCCCCCCCCCCOCC(O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	enzymemap_57682
AKRT009252	CCCCCCCCCCCCCCCCOC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	41143
AKRT010383	CN(C)CCO.C[SAH]>>C[N+](C)(C)CCO	RXN-5763
AKRT011211	COC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	39927
AKRT011420	COc1cc(/C=C/C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O.C[N+](C)(C)CCO>>COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)ccc1O	enzymemap_32466
AKRT011452	COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)cc(OC)c1O>>COc1cc(/C=C/C(=O)O)cc(OC)c1O.C[N+](C)(C)CCO	None
AKRT011453	COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)cc(OC)c1O>>C[N+](C)(C)CCO	SINAPINE-ESTERASE-RXN
AKRT011455	COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)ccc1O>>C[N+](C)(C)CCO	enzymemap_53104
AKRT011460	COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O.C[N+](C)(C)CCO>>COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)cc(OC)c1O	2.3.1.91-RXN
AKRT011462	COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O.C[N+](C)(C)CCO>>COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)ccc1O	enzymemap_32466
AKRT011467	COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O.C[N+](C)(C)CCO>>COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)cc(OC)c1O	enzymemap_32475
AKRT011744	COc1ccc(/C=C/C(=O)OCC[N+](C)(C)C)cc1O>>C[N+](C)(C)CCO	enzymemap_53103
AKRT014289	C[N+](C)(C)CC=O>>C[N+](C)(C)CCO	RXN-12582
AKRT014310	C[N+](C)(C)CCO.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)CCOP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT014311	C[N+](C)(C)CCO.O=C(/C=C/c1ccc(O)c(O)c1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO>>C[N+](C)(C)CCOC(=O)/C=C/c1ccc(O)c(O)c1	enzymemap_32465
AKRT014312	C[N+](C)(C)CCO.O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>C[N+](C)(C)CCOC(=O)/C=C/c1ccc(O)c(O)c1	enzymemap_32465
AKRT014313	C[N+](C)(C)CCO.O=C(/C=C/c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO>>C[N+](C)(C)CCOC(=O)/C=C/c1ccc(O)cc1	enzymemap_32467
AKRT014314	C[N+](C)(C)CCO.O=C(/C=C/c1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>C[N+](C)(C)CCOC(=O)/C=C/c1ccc(O)cc1	enzymemap_32474
AKRT014315	C[N+](C)(C)CCO.O=C(/C=C/c1ccc(O)cc1)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>C[N+](C)(C)CCOC(=O)/C=C/c1ccc(O)cc1	enzymemap_32467
AKRT014316	C[N+](C)(C)CCO.O=P(O)(O)OC(CO)CO>>C[N+](C)(C)CCOP(=O)(O)OC[C@H](O)CO	MNXR157906
AKRT014317	C[N+](C)(C)CCO.O=[N+](O)c1ccc(OP(=O)(O)O)cc1>>C[N+](C)(C)CCOP(=O)(O)Oc1ccc([N+](=O)O)cc1	MNXR129429
AKRT014318	C[N+](C)(C)CCO.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>C[N+](C)(C)CCOc1ccc([N+](=O)[O-])cc1	enzymemap_55792
AKRT014319	C[N+](C)(C)CCO>>CC=O	RXN-13946
AKRT014320	C[N+](C)(C)CCO>>CN(C)C	RXN-13946
AKRT014321	C[N+](C)(C)CCO>>C[N+](C)(C)CC(=O)O	RXN-13178
AKRT014322	C[N+](C)(C)CCO>>C[N+](C)(C)CC(O)O	RXN1F-357
AKRT014323	C[N+](C)(C)CCO>>C[N+](C)(C)CC=O	RXN-6021
AKRT014324	C[N+](C)(C)CCO>>C[N+](C)(C)CCOP(=O)(O)O	CHOLINE-KINASE-RXN
AKRT014325	C[N+](C)(C)CCO>>C[N+](C)(C)CCOS(=O)(=O)O	CHOLINE-SULFOTRANSFERASE-RXN
AKRT014326	C[N+](C)(C)CCO>>O=CCO	58496
AKRT014327	C[N+](C)(C)CCOC(=O)/C=C/c1ccc(O)cc1>>C[N+](C)(C)CCO	enzymemap_53108
AKRT014328	C[N+](C)(C)CCOC(=O)/C=C/c1ccccc1>>C[N+](C)(C)CCO	enzymemap_53105
AKRT014329	C[N+](C)(C)CCOC(=O)CCC(=O)O>>C[N+](C)(C)CCO	enzymemap_53563
AKRT014330	C[N+](C)(C)CCOC(=O)CCC(=O)O>>C[N+](C)(C)CCO.O=C(O)CCC(=O)O	None
AKRT014331	C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	enzymemap_53563
AKRT014332	C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO.C[N+](C)(C)CCOC(=O)CCC(=O)O	None
AKRT014333	C[N+](C)(C)CCOC(=O)CCCCC(=O)O>>C[N+](C)(C)CCO	enzymemap_54210
AKRT014334	C[N+](C)(C)CCOC(=O)CCCCC(=O)O>>C[N+](C)(C)CCO.O=C(O)CCCCC(=O)O	None
AKRT014335	C[N+](C)(C)CCOC(=O)CCCCC(=O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	enzymemap_54210
AKRT014336	C[N+](C)(C)CCOC(=O)CCCCC(=O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO.C[N+](C)(C)CCOC(=O)CCCCC(=O)O	None
AKRT014337	C[N+](C)(C)CCOC(=O)CCCCCCCCC(=O)O>>C[N+](C)(C)CCO	enzymemap_54211
AKRT014338	C[N+](C)(C)CCOC(=O)CCCCCCCCC(=O)O>>C[N+](C)(C)CCO.O=C(O)CCCCCCCCC(=O)O	None
AKRT014339	C[N+](C)(C)CCOC(=O)CCCCCCCCC(=O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO	enzymemap_54211
AKRT014340	C[N+](C)(C)CCOC(=O)CCCCCCCCC(=O)OCC[N+](C)(C)C>>C[N+](C)(C)CCO.C[N+](C)(C)CCOC(=O)CCCCCCCCC(=O)O	None
AKRT014341	C[N+](C)(C)CCOC(=O)CCc1ccccc1>>C[N+](C)(C)CCO	enzymemap_53109
AKRT014342	C[N+](C)(C)CCOC(=O)c1ccccc1>>C[N+](C)(C)CCO	enzymemap_53107
AKRT014343	C[N+](C)(C)CCOC(=O)c1ccccc1>>C[N+](C)(C)CCO.O=C(O)c1ccccc1	None
AKRT014351	C[N+](C)(C)CCOP(=O)(O)O>>C[N+](C)(C)CCO	RXN-5647
AKRT014353	C[N+](C)(C)CCOP(=O)(O)OC[C@@H](O)CO>>C[N+](C)(C)CCO	enzymemap_57710
AKRT014355	C[N+](C)(C)CCOP(=O)(O)OC[C@H](O)CO>>C[N+](C)(C)CCO	3.1.4.2-RXN
AKRT014356	C[N+](C)(C)CCOP(=O)(O)OC[C@H](O)CO>>C[N+](C)(C)CCO.O=P(O)(O)OC[C@H](O)CO	None
AKRT014369	C[N+](C)(C)CCOP(=O)(O)Oc1ccc([N+](=O)[O-])cc1>>C[N+](C)(C)CCO	enzymemap_55792
AKRT014374	C[N+](C)(C)CCOS(=O)(=O)O>>C[N+](C)(C)CCO	CHOLINE-SULFATASE-RXN