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choline sulfate

MNXM1108456 is deprecated and here replaced by MNXM1364530
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1364530 Image of MNXM1364530
referencechebi:16822
formulaC5H13NO4S
global charge0
mol weight183.229
InChIKeyWXCQAWGXWVRCGP-UHFFFAOYSA-N
InChIInChI=1S/C5H13NO4S/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3
SMILESC[N+](C)(C)CCOS(=O)(=O)[O-]
MNX internals
InChI (mnx)  Image of MNXM1364530
SMILES (mnx) 
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16822
chebi:16822
WXCQAWGXWVRCGP-UHFFFAOYSA-N
choline sulfate
2-(trimethylammonio)ethyl sulfate
Choline sulfate
choline sulfate betaine
hmdb:HMDB0242428
OMKXVFDVAGCPBS-UHFFFAOYSA-N
(1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-Dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate
(1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfuric acid
(1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulphate
(1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulphuric acid
({1-[3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-2,4,5,6,7-pentahydroxyheptan-3-yl}oxy)trioxo--sulphanuide
({1-[3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-2,4,5,6,7-pentahydroxyheptan-3-yl}oxy)trioxo-lambda⁶-sulphanuide
3,4-dihydroxy-2-(hydroxymethyl)-1-[2,4,5,6,7-pentahydroxy-3-(sulfonatooxy)heptyl]thiolan-1-ium

CHEBI:52697
chebi:52697
SCFQOGPKAHRBQK-UHFFFAOYSA-N
1-hydroxy-1-oxo-3-methyl-3-butylbenziodoxazole
3-butyl-3-methyl-1,3-dihydro-1lambda(3),2,3-benziodoxazol-3-ium-1-olate 1-oxide

CHEBI:145928
chebi:145928
FWQUFPSRHRHXPN-UHFFFAOYSA-O
1-hydroxy-3-(indol-3-ylmethyl)-6H,7H,8H-5lambda(5)-pyrrolo[1,2-a]pyrazine
1-hydroxy-3-(1H-indol-3-ylmethyl)-6H,7H,8H-5lambda(5)-pyrrolo[1,2-a]pyrazin-5-ylium
1-hydroxy-3-(1H-indol-3-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-5-ium
1-hydroxy-3-(indol-3-ylmethyl)-6H,7H,8H-5lambda(5)-pyrrolo[1,2-a]pyrazin-5-ylium

CHEBI:145657
chebi:145657
LRBCTERRSZUZIM-UHFFFAOYSA-O
1-hydroxy-3-{[2-(1,1-dimethylallyl)-indol-3-yl]methyl}-6H,7H,8H-5lambda(5)-pyrrolo[1,2-a]pyrazine
1-hydroxy-3-{[2-(1,1-dimethylallyl)-indol-3-yl]methyl}-6H,7H,8H-5lambda(5)-pyrrolo[1,2-a]pyrazin-5-ylium
1-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-6H,7H,8H-5lambda(5)-pyrrolo[1,2-a]pyrazin-5-ylium
1-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-5-ium
1-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-indol-3-yl]methyl}-6H,7H,8H-5lambda(5)-pyrrolo[1,2-a]pyrazin-5-ylium

metacyc.compound:CPD-25425
metacycM:CPD-25425
LRBCTERRSZUZIM-UHFFFAOYSA-N
1-hydroxy-3-{[2-(1,1-dimethylallyl)-indol-3-yl]methyl}-6H,7H,8H-5lambda5-pyrrolo[1,2-a]pyrazine

kegg.compound:C00919
keggC:C00919
vmhM:chols
vmhmetabolite:chols
WXCQAWGXWVRCGP-UHFFFAOYSA-N
Choline sulfate
hmdb:HMDB0250194
WXCQAWGXWVRCGP-UHFFFAOYSA-N
Choline sulfate
2-(trimethylazaniumyl)ethyl sulfate
2-Hydroxy-N,N,N-trimethylethanaminium
Bitartrate, choline
Bursine
Chloride, choline
Choline
Choline O sulfate
Choline O-sulfate
Choline bitartrate
Choline chloride
Choline citrate
Choline hydroxide
Choline sulfate betaine
Choline sulfuric acid
Choline sulfuric acid betaine
Choline sulphate
Choline sulphate betaine
Choline sulphuric acid
Choline sulphuric acid betaine
Citrate, choline
Fagine
Hydroxide, choline
O-Sulfate, choline
Vidine
choline sulfate

seed.compound:cpd00681
seedM:cpd00681
WXCQAWGXWVRCGP-UHFFFAOYSA-N
Choline sulfate
choline sulfate
chols

seed.compound:cpd20314
seedM:cpd20314
FLRVXUUPNBCDRY-UHFFFAOYSA-N
Perfluidone
hmdb:HMDB0258297
LSMWOQFDLBIYPM-UHFFFAOYSA-N
SIMes
1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydro-1lambda5-imidazol-1-ylium-2-ide
1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydro-3H-1lambda5-imidazol-1-ylium-2-ide
hmdb:HMDB0257455
SOWRVDSZMRPKRG-UHFFFAOYSA-N
Salacinol
(2S,3S)-4-((1S,2R,3S,4S)-3,4-DIHYDROXY-2-(hydroxymethyl)tetrahydro-1H-thiophen-1-ium-1-yl)-1,3-dihydroxybutan-2-yl sulfuric acid
(2S,3S)-4-((1S,2R,3S,4S)-3,4-DIHYDROXY-2-(hydroxymethyl)tetrahydro-1H-thiophen-1-ium-1-yl)-1,3-dihydroxybutan-2-yl sulphate
(2S,3S)-4-((1S,2R,3S,4S)-3,4-DIHYDROXY-2-(hydroxymethyl)tetrahydro-1H-thiophen-1-ium-1-yl)-1,3-dihydroxybutan-2-yl sulphuric acid
({4-[3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-1,3-dihydroxybutan-2-yl}oxy)trioxo--sulphanuide
({4-[3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-1,3-dihydroxybutan-2-yl}oxy)trioxo-lambda⁶-sulphanuide
1-[2,4-dihydroxy-3-(sulfonatooxy)butyl]-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium

kegg.drug:D06167
keggD:D06167
ORYDPOVDJJZGHQ-UHFFFAOYSA-N
Tirapazamine (USAN/INN)

CHEBI:52859
chebi:52859
WXCQAWGXWVRCGP-UHFFFAOYSA-O
choline hydrogen sulfate
N,N,N-trimethyl-2-(sulfooxy)ethanaminium
choline sulfate

metacyc.compound:CPD-543
metacycM:CPD-543
WXCQAWGXWVRCGP-UHFFFAOYSA-N
choline sulfate

CHEBI:30471
chebi:30471
HXWAPSSWSLRONP-UHFFFAOYSA-N
dichloridodimethyltellurium
[TeCl2Me2]

CHEBI:78887
chebi:78887
ORYDPOVDJJZGHQ-UHFFFAOYSA-N
tirapazamine
1,2,4-benzotriazin-3-amine 1,4-dioxide
3-Amino-1,2,4-benzotriazine 1,4-dioxide
SR 4233
SR-4233

chebi:13987
chebi:23215
chebi:3669
keggC:M_C00919
keggD:M_D06167
seedM:M_cpd00681
seedM:M_cpd20314
vmhM:M_chols
secondary/obsolete/fantasy identifier