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(2S)-3-sulfopropanediol

PropertiesImage
MNX_IDMNXM13761 Image of MNXM13761
referencechebi:176527
formulaC3H7O5S
global charge-1
mol weight155.151
InChIKeyYPFUJZAAZJXMIP-VKHMYHEASA-M
InChIInChI=1S/C3H8O5S/c4-1-3(5)2-9(6,7)8/h3-5H,1-2H2,(H,6,7,8)/p-1/t3-/m0/s1
SMILESO=S(=O)([O-])C[C@@H](O)CO
MNX internals
InChI (mnx)InChI=1/C3H8O5S/c4-1-3(5)2-9(6,7)8/h3-5H,1-2H2,(H,6,7,8)/t3-/m0/s1 Image of MNXM13761
SMILES (mnx)[CH2:1]([C@@H:3]([CH2:2][S:9]([OH:6])(=[O:7])=[O:8])[OH:5])[OH:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:176527
chebi:176527
YPFUJZAAZJXMIP-VKHMYHEASA-M 		(2S)-3-sulfopropanediol
(2S)-2,3-dihydroxypropane-1-sulfonate
(2S)-3-sulfopropanediol anion
(2S)-3-sulfopropanediol(1-)
(S)-2,3-dihydroxypropane-1-sulfonate

kegg.compound:C22383
keggC:C22383
YPFUJZAAZJXMIP-VKHMYHEASA-N 		(2S)-2,3-Dihydroxypropane-1-sulfonate
(2S)-3-Sulfopropanediol
(S)-2,3-Dihydroxypropane-1-sulfonate
(S)-DHPS
2(S)-Dihydroxypropanesulfonate

metacyc.compound:CPD-12693
metacycM:CPD-12693
YPFUJZAAZJXMIP-VKHMYHEASA-M 		(2S)-2,3-dihydroxypropane-1-sulfonate
(2S)-3-sulfopropanediol
(S)-2,3-dihydroxypropane-1-sulfonate
(S)-DHPS

seed.compound:cpd23538
seedM:cpd23538
YPFUJZAAZJXMIP-VKHMYHEASA-M 		(S)-2,3-dihydroxypropane-1-sulfonate
(2S)-3-sulfopropanediol
(S)-2,3-dihydroxypropane 1-sulfonate
DHPS
sulfopropanediol

seed.compound:cpd31356
seedM:cpd31356
YPFUJZAAZJXMIP-UHFFFAOYSA-M 		2,3-Dihydroxypropane-1-sulfonate
2-3-dihydroxypropane-1-sulfonate
3-Sulfopropanediol

metacyc.compound:2-3-dihydroxypropane-1-sulfonate
metacycM:2-3-dihydroxypropane-1-sulfonate
YPFUJZAAZJXMIP-UHFFFAOYSA-M 		2,3-dihydroxypropane 1-sulfonate
3-sulfopropanediol
DHPS

CHEBI:77138
chebi:77138
YPFUJZAAZJXMIP-UHFFFAOYSA-M 		2,3-dihydroxypropane-1-sulfonate
3-sulfopropanediol(1-)

CHEBI:77267
chebi:77267
YPFUJZAAZJXMIP-UHFFFAOYSA-N 		3-sulfopropanediol
2,3-Dihydroxy-1-propanesulfonic acid
2,3-Dihydroxypropanesulphonic acid
2,3-dihydroxypropane-1-sulfonic acid

bigg.metabolite:ghb
biggM:ghb 		Gamma-hydroxybutyrate

biggM:M_ghb
keggC:M_C22383
seedM:M_cpd23538
seedM:M_cpd31356 		secondary/obsolete/fantasy identifier