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butane-1-sulfonate

MNXM7138 is deprecated and here replaced by MNXM730561
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM730561 Image of MNXM730561
referencechebi:61911
formulaC4H9O3S
global charge-1
mol weight137.18
InChIKeyQDHFHIQKOVNCNC-UHFFFAOYSA-M
InChIInChI=1S/C4H10O3S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H,5,6,7)/p-1
SMILESCCCCS(=O)(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C4H10O3S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H,5,6,7) Image of MNXM730561
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][S:8]([OH:5])(=[O:6])=[O:7]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:61911
chebi:61911
QDHFHIQKOVNCNC-UHFFFAOYSA-M 		butane-1-sulfonate
1-butanesulfonate
1-butanesulfonic acid (1-)
Butan-1-sulfonat
butane-1-sulfonate(1-)
butane-1-sulfonic acid (1-)
butane-1-sulfonic acid anion
n-Butylsulfonatanion
n-butyl-1-sulfonate (1-)

metacyc.compound:CPD-3744
metacycM:CPD-3744
QDHFHIQKOVNCNC-UHFFFAOYSA-M 		1-butanesulfonate
1-butane sulfonic acid
1-butanesulfonic acid
butane sulfonic acid
butane-1-sulfonic acid
butanesulfonate
n-butyl-1-sulfonate

bigg.metabolite:butso3
biggM:butso3
QDHFHIQKOVNCNC-UHFFFAOYSA-M 		Butanesulfonate

CHEBI:61958
chebi:61958
QDHFHIQKOVNCNC-UHFFFAOYSA-N 		butane-1-sulfonic acid
1-Butanesulfonic acid
Butane-1-sulphonic acid
butane sulfonic acid
butanesulfonic acid
n-butane sulfonic acid
n-butane-1-sulfonic acid
n-butanesulphonic acid

vmhM:butso3
vmhmetabolite:butso3
QDHFHIQKOVNCNC-UHFFFAOYSA-M 		butanesulfonate

seed.compound:cpd11596
seedM:cpd11596
QDHFHIQKOVNCNC-UHFFFAOYSA-M 		butanesulfonate
1-butane sulfonic acid
1-butanesulfonate
1-butanesulfonic acid
butane-1-sulfonic acid
buts
n-butyl-1-sulfonate

envipath:...2ce00be14f39
envipathM:...2ce00be14f39
QDHFHIQKOVNCNC-UHFFFAOYSA-M 		compound 0060484

biggM:M_butso3
seedM:M_cpd11596
vmhM:M_butso3 		secondary/obsolete/fantasy identifier