Search MNXref
 Feedback

1-hexanesulfonic acid

PropertiesImage
MNX_IDMNXM11814 Image of MNXM11814
referencechebi:231577
formulaC6H14O3S
global charge0
mol weight166.242
InChIKeyFYAQQULBLMNGAH-UHFFFAOYSA-N
InChIInChI=1S/C6H14O3S/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3,(H,7,8,9)
SMILESCCCCCCS(=O)(=O)O
MNX internals
InChI (mnx)InChI=1/C6H14O3S/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3,(H,7,8,9) Image of MNXM11814
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][S:10]([OH:7])(=[O:8])=[O:9]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:231577
chebi:231577
FYAQQULBLMNGAH-UHFFFAOYSA-N 		1-hexanesulfonic acid
hexane-1-sulfonic acid
hexanesulfonic acid

metacyc.compound:CPD0-2074
metacycM:CPD0-2074
FYAQQULBLMNGAH-UHFFFAOYSA-M 		1-hexanesulfonate
hexane-1-sulfonate
hexanesulfonic acid

bigg.metabolite:hexs
biggM:hexs 		Hexanesulfonate
hmdb:HMDB0253146
FYAQQULBLMNGAH-UHFFFAOYSA-N 		Hexanesulfonic acid
Hexane-1-sulfonate
Hexane-1-sulphonate
Hexane-1-sulphonic acid
hexane-1-sulfonic acid
hexanesulfonic acid

seed.compound:cpd11578
seedM:cpd11578
FYAQQULBLMNGAH-UHFFFAOYSA-M 		hexanesulfonate
1-hexanesulfonate
hexane-1-sulfonate
hexanesulfonic acid
hexs

biggM:M_hexs
seedM:M_cpd11578 		secondary/obsolete/fantasy identifier